Searching in DWPI Chemistry Resource (DCR

Searching in DWPI Chemistry Resource (DCR
Searching in DWPISM Chemistry
Resource (DCR) on STN®
Agenda
• What is the DWPI Chemistry Resource (DCR)?
• Chemical name searching
• Chemical structure searching
• Refining a search with roles
• Multifile searching with REGISTRY/CAplus
2
3
What is the DWPI Chemistry Resource?
• DCR is a chemical structure database covering
specific chemical structures indexed in Derwent
World Patents Index® (DWPISM) patent records
• An integral part of DWPI on STN
• Available to all users of DWPI
DCR
25,000,000+
Patent records
2,000,000+
Substance
records
4
DWPI Chemistry Resource (DCR)
• For each specific chemical substance a DCR
record is created with a unique DCR number
‒ Basic compound
‒ Salts, isotopes, mixtures, isomers
• Substance records include structure diagrams and
substance data, e.g.
‒ IUPAC-name, synonyms
‒ Molecular formula, molecular weight
• DCR numbers (/DCR) form the connection to DWPI
patent records
5
DCR substance record
L1
ANSWER 1 OF 1 WPINDEX COPYRIGHT 2014 THOMSON REUTERS on STN
ACCESSION NUMBER:
DCR-368
DCR numbers form the
DERWENT CHEM.RES.NO.: 368-0-0-0
connection to DWPI
PREF. CHEMICAL NAME: STYRENE
patent records.
SYSTEMATIC NAME:
Vinyl-benzene
SYNONYM:
POLYSTYRENE (MONOMER); STYRENE
Chemical structures are
searchable in the STN
standard format.
CROSS REFERENCE:
104475 : SEE ALSO104481 : SEE ALSO
MOLECULAR FORMULA:
C8 H8
STANDARD MOL. FORMULA:C8 H8 *1; TOTAL *1; TYPE *1
Substance records may
MOLECULAR WEIGHT:
104.15
DERWENT COMPOUND NO.: R00708
include older numbering
DERWENT REGISTRY NO.: 0708
systems: DCN and DRN.
6
DCR numbers form the connection between
substance and patent records
L1
AN
TI
ANSWER 1 OF 1 WPINDEX COPYRIGHT 2014
THOMSON REUTERS on STN
2005-217884 [23]
WPINDEX
Recovery of solvent and styrene from polystyrene solution involves
recovering solvent by evaporation and recovering styrene from
polystyrene thermally decomposed by solvent
. . . .
IT
UPIT 20050708
2113-DIS 2113-PRD; 368-CL 368-PRD
AN.S
DCSE
CN.P
CN.S
SY
DCR-2113
2113-0-0-0
LIMONENE
4-Isopropenyl-1-methyl-cyclohexene
(+-)-LIMONENE; 1,8-P-MENTHADIENE;...
AN.S
DCSE
CN.P
CN.S
SY
DCR-368
368-0-0-0
STYRENE
Vinyl-benzene
POLYSTYRENE (MONOMER); STYRENE
MF
C10 H16
MF
C8 H8
7
Searching DCR numbers
• Use the field /AN.S to retrieve substance records
=> S DCR-368/AN.S
L1
1 DCR-368/AN.S
• Use the field /DCR to retrieve patent records
=> S DCR-368/DCR
L1
148121 DCR-368/DCR
DCR-368 is the DCR number for styrene.
8
DCR coverage
• Specific chemical compounds indexed by Thomson
Reuters from basic patents in DWPI
• DWPI patents classified in Pharmaceutical (B),
agrochemical (C) and/or general chemical (E)
• Comprehensive coverage began in 4/1999*
• Selective coverage for approximately
‒ 20,000 substances from 1/1987 to date
‒ 2,100 substances from 7/1981 to date
* Except Japanese patents which are covered from 9/2000 onwards.
9
Which compound types are in DCR?
• Organic and inorganic specific compounds
• Specific peptides up to 10 amino acid residues
• Oligomers up to 8 repeat units
• Natural products including enzymes and proteins
• Chemically modified polysaccharides
• ‘Standard’ polymers (for chemical indexing)
Note: peptides are searchable in the DCR comment
(/CMT) field, using three-letter amino acid symbols.
For example: => S ALA PHE ARG HIS/CMT.
10
Which compounds are selected for DCR?
• Novel chemical compounds from the claims
• Known chemical compounds from the claims
• The main examples and other representative
examples from the description
• Up to 99 chemical compounds are indexed from
the DWPI basic patent (system limit)
See also: DWPI CPI Chemical Indexing Guidelines:
http://ip-science.thomsonreuters.com/m/pdfs/mgr/chemical_index_guidelines.pdf
11
Example: display all indexed substances
=> S WO2010028012/PN
L1
1 WO2010028012/PN
=> D AN TI ALLSTR
The ALLSTR format displays
all indexed DCR structures for
a given DWPI patent record.
L1
AN
TI
ANSWER 1 OF 1 WPINDEX COPYRIGHT 2014
THOMSON REUTERS on STN
2010-C71770 [201021]
WPINDEX
Protection of plant from phytophagous nematode for reducing crop
production losses comprises applying nematocide mixture consisting of
methomyl and neonicotinoids to plant, seed or growing medium
AN.S
CN.P
SDCN
SDRN
DCR-72275
METHOMYL
R01993
1993
. . . .
The ALLSTR display can be
combined with any standard
DWPI bibliographic displays,
e.g. the Thomson Reuters
enhanced title (TI).
12
Example: display all indexed substances (cont.)
AN.S DCR-200552
CN.P THIAMETHOXAM
CN.S 3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4ylidene(nitro)amine; 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine
SDCN RA0I7Q
The ALLSTR format combines all
of the DCR structures associated
with a DWPI bibliographic record,
into a single unified display.
AN.S
CN.P
CN.S
SDCN
DCR-226531
THIACLOPRID
3-(6-Chloro-pyridin-3-ylmethyl)-thiazolidin-2-ylidene-cyanamide
RA0JU9
13
Agenda
• What is the DWPI Chemistry Resource (DCR)?
• Chemical name searching
• Chemical structure searching
• Refining a search with roles
• Multifile searching with REGISTRY/CAplus
14
DCR chemical name fields
• A Preferred Name (/CN.P) may be chosen by
Thomson, e.g. a generic drug name
• Synonyms (/SY) may be selected for inclusion by
Thomson, e.g. trivial names, trade names
• Chemical Name (/CN) field provides one step
search/display of all names in CN.P and SY
• A Systematic Chemical Name (/CN.S) may also be
available, generated using AutoNom software
• Chemical name segment (/CNS) provides name
fragment searching for all CN and CN.S names
15
Example: DCR chemical name fields
L1
AN.S
DCSE
CN.P
CN.S
SY
ANSWER 1 OF 1 WPINDEX COPYRIGHT 2014 THOMSON REUTERS on STN
DCR-90453
ALL display format.
90453-0-0-0
CETIRIZINE
(2-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}ethoxy)-acetic acid
ALERLISIN; CETIRIZINE; CIRRUS; P-071; REACTINE; SM-12800;
VIRLIX; ZYRTEC
There are eight synonyms
(SY) recorded in the DCR
record for cetirizine.
Reminder: the Chemical
Name (/CN) field provides
C21 H25 Cl N2 O3
one step search of all
C21 H25 Cl N2 O3 *1; TOTAL *1; TYPE *1names in CN.P and SY
MF
SMF
MW
388.89
SDCN R14937; R16291
16
Example: Search for cetirizine
=> E CETIRIZINE/CN 5
E1
E2
E3
E4
E5
=> S E3
L1
1 CETIRIZINE/CN
=> SEL CN
E1 THROUGH E8 ASSIGNED
=> D SEL
E1
E2
E3
E4
E5
E6
E7
E8
1. EXPAND on compound name.
2
CETIPRIN/CN
2
CETIPRIN-NOVUM/CN
1 --> CETIRIZINE/CN
1
CETIRIZINE DIHYDROCHLORIDE/CN
1
CETIRIZINE HYDROCHLORIDE/CN
2
1
1
1
1
1
1
1
CETIRIZINE/CN
ALERLISIN/CN
CIRRUS/CN
P-071/CN
REACTINE/CN
SM-12800/CN
VIRLIX/CN
ZYRTEC/CN
2. Search for compound name.
3. Select synonym names.
4. Display selected synonyms.
17
Example: Search for cetirizine (cont.)
=> S E1-E8/BI
L2
720 (CETIRIZINE/BI OR ALERLISIN/BI OR CIRRUS/BI OR P-071/BI OR
REACTINE/BI OR SM-12800/BI OR VIRLIX/BI OR ZYRTEC/BI)
5. Search the selected synonyms in the Basic
Index (/BI) of the target STN database, e.g. DWPI.
=> S CETIRIZIN? OR ALERLISIN OR CIRRUS OR P(W)071 OR P071 OR
REACTINE OR SM(W)12800 OR SM12800 OR VIRLIX OR VIRLEX OR
ZYRTEC OR ZIRTEC
L3
725 CETIRIZIN? OR ALERLISIN OR CIRRUS OR P-071 OR P071 OR
REACTINE OR SM 12800 OR SM12800 OR VIRLIX OR VIRLEX OR
ZYRTEC OR ZIRTEC
Option: create a customized keyword query from the selected
synonyms, incorporating truncation and spelling variation.
18
DCR also provides several molecular formula (MF)
search and display fields
• Molecular Formula (MF)
‒ E.g.: C6 H11 Br O2 . Na
• Element Symbol (/ELS)
‒ E.g.: => S BR/ELS
• Element Symbol Count (/ELS.CNT)
‒ E.g.: => S O 2-3/ELS.CNT
19
Example: combining name segment (/CNS) and
molecular formula (/MF) searching
Search Question:
Search for patent references to benzothiazole
substituted with chlorine and methyl
Cl
CH3
20
Example: combining name segment (/CNS) and
molecular formula (/MF) searching (cont.)
=> S (BENZOTHIAZOLE AND METHYL AND CHLORO)/CNS AND C8 H6 CL N S/MF
L1
3 (BENZOTHIAZOLE AND METHYL AND CHLORO)/CNS AND C8 H6 CL N S/MF
=> D TRIAL 1-3
L1
ANSWER 1 OF 3 WPINDEX COPYRIGHT
CN.S 6-Chloro-2-methyl-benzothiazole
MF
C8 H6 Cl N S
This search retrieves methyl
2013 substituted
THOMSON
REUTERS on with
STN a
benzothiazole,
chloro-substituent at any position.
L1
ANSWER 2 OF 3 WPINDEX COPYRIGHT 2013
CN.S 4-Chloro-2-methyl-benzothiazole
MF
C8 H6 Cl N S
THOMSON REUTERS on STN
L1
ANSWER 3 OF 3 WPINDEX COPYRIGHT 2013
CN.S 5-Chloro-2-methyl-benzothiazole
MF
C8 H6 Cl N S . . . .
THOMSON REUTERS on STN
Agenda
• What is the DWPI Chemistry Resource (DCR)?
• Chemical name searching
• Chemical structure searching
• Refining a search with roles
• Multifile searching with REGISTRY/CAplus
21
22
DCR chemical structure search example
Search Question:
Search for DWPI patent references to specific
carbapenem derivatives of substructure (I)
(I)
Learn more about the basics of structure searching:
http://www.cas.org/training/stn/substance
23
Standard chemical structure search options
• Exact search (EXA)
‒ Retrieves specific compounds and isotopes
• Family search (FAM)
‒ Retrieves specific compounds, isotopes, salts and mixtures
• Closed Substructure Search (CSS)
‒ Allows for substitution at defined positions
• Substructure Search (SSS)
‒ Allows for substitution at any position
• Sample search (SAM)
‒ Free-of-charge pre-search
• Subset search (SUBSET)
‒ Structure search on a database subset
• Batch search (BATCH)
‒ For broad structure queries which may reach system limits
24
How to run a structure search in DWPI
1. Draw & save the structure query in standard format
with STN Express (or STN on the Web)
2. Upload the structure query to DWPI on STN
3. Run the structure search, e.g.:
a. Sample search => S L1 SSS SAM
b. Full search
=> S L1 SSS FULL
4. Retrieve DWPI patent records
E.g.: => S L2/DCR
5. Display DWPI patent records with DCR hit structures
(HITSTR) in-context
E.g.: => D L3 1- FULLG HITSTR
25
Draw & save the structure query in standard format
with STN Express
26
Upload the structure query to DWPI on STN
Upload the query with the ‘Q’ button.
27
Run a sample structure search
=>
uploading c:\. . . .\my documents\stn express 8.5\queries\carbapenem.str
L1
STRUCTURE UPLOADED
The uploaded structure query (L1).
=> D
L1 HAS NO ANSWERS
L1
STR
Option: display the query (L1), to
verify that the Upload was successful.
Structure attributes must be viewed using STN Express query preparation.
=> S L1 SSS SAM
SAMPLE SEARCH INITIATED 13:33:06 FILE
SAMPLE SCREEN SEARCH COMPLETED 100.0% PROCESSED
. . . .
L2
175 ITERATIONS
50 SEA SSS SAM L1
Run a substructure (SSS) sample
'WPIX'
(SAM)
search using the query (L1).
173
TO ITERATE
50 ANSWER
50 compounds are retrieved (L2).
28
Review some answers using D SCAN
=> D SCAN
L2
50
ANSWERS
WPIX
COPYRIGHT 2013 THOMSON REUTERS on STN
CN.S 3-{5-[2-(7-Fluoro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethylcarbamoyl]pyrrolidin-3-ylsulfanyl}-6-(1-hydroxy-ethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MF
C25 H30 F N3 O7 S
The effectiveness of
the query (L1) may be
assessed by reviewing
some records (L2), e.g.
using the free-ofcharge SCAN format.
HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1):3
L2
50
ANSWERS
WPIX
COPYRIGHT 2013 THOMSON REUTERS on STN
CN.S 3-{5-[2-(7-Fluoro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethylcarbamoyl]pyrrolidin-3-ylsulfanyl}-6-(1-hydroxy-ethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MF
C25 H30 F N3 O7 S
. . . .
29
Run a full structure search
Run a substructure (SSS) full-file
FULL SEARCH INITIATED 13:34:30 FILE(FUL)
'WPIX'
search using the query (L1).
=> S L1 SSS FUL
FULL SCREEN SEARCH COMPLETED -
1642 TO ITERATE
100.0% PROCESSED
1642 ITERATIONS
SEARCH TIME: 00.00.02
L3
1370 SEA SSS FUL L1
=> S L3/DCR
L4
801 L3/DCR
1370 ANSWERS
1370 compounds are retrieved (L3).
801 DWPI patent records are retrieved (L4).
30
Retrieve and display DWPI patent records
=> D BIB HITSTR
L4
AN
TI
ANSWER 1 OF 801 WPIX COPYRIGHT 2013
THOMSON REUTERS on STN
2012-R21974 [201302]
WPIX
Formulation used for providing extended release of antibiotic agent as
e.g. anti-cancer treatment, comprises nanoparticles encapsulating
therapeutic agents
DC
A96; B05; B07; D22; P32
Display the DWPI patent records with
IN
DESILVA M N; GILES P; OCONNOR K H; TIBA A
in-context hit structures (HITSTR).
PA
(USNA-C) US SEC NAVY
CYC 115
PIA WO 2012170975
A1 20121213 (201302)* EN 56[10]
ADT WO 2012170975 A1 WO 2012-US41801 20120610
PRAI US 2011-495909P
20110610
AN.S DCR-97728
CN.P IMIPENEM
CN.S 3-(2-Formimidoylamino-ethylsulfanyl)-6-(1-hydroxy-ethyl)-7-oxo-1-azabicyclo[3.2 .0]hept-2-ene-2-carboxylic acid
SDCN R15097
. . . .
31
Agenda
• What is the DWPI Chemistry Resource (DCR)?
• Chemical name search fields
• Chemical structure searching
• Refining a search with roles
• Multifile searching with REGISTRY/CAplus
32
Searches may be refined using roles
• “Roles” in DWPI describe the function of a
compound in the patent, e.g.
‒ Compound is prepared, purified or part of a mixture
‒ Compound is claimed or from the examples
• DCR compounds can have two types of roles
assigned in DWPI
‒ 2-3-letter codes in the IT-display (DCR Roles)
‒ Single-letter codes in the CMC display (DCN Roles)
• Roles can be linked to DCR numbers in the DCR
search field using the (T)-proximity operator
33
There are two distinct groups of DCR Number Roles
available for searching
L1
AN
TI
ANSWER 1 OF 1 WPINDEX COPYRIGHT 2014
THOMSON REUTERS on STN
2005-217884 [23]
WPINDEX
Recovery of solvent and styrene from polystyrene solution involves
recovering solvent by evaporation and recovering styrene from
polystyrene thermally decomposed by solvent
. . . .
IT
UPIT 20050708
2113-DIS 2113-PRD; 368-CL 368-PRD
CMC
UPB 20050708
DRN: 0708-P 0708-U 1119-P 1119-U
The index term field (IT)
includes the DCR roles.
M3 *01*
G035
M424
M905
DCN:
DCR:
G562 H7 H721 M210 M211 M213 M232 M240 M282 M320 M415
M510 M520 M530 M541 M610 M720 M740 N163 N480 N513 Q431
M904 M910
R01119-K R01119-P
130846-P 130846-U 2113-K 2113-P 2113-U
M3 *02*
G010
M510
M905
DCN:
DCR:
G100 H7 H715 H721 M210 M212 M240 M281 M320 M414 M424
M520 M531 M540 M610 M720 M740 N163 N480 N513 Q110 Q431
M904 M910
The chemical code field (CMC)
R00708-K R00708-P
368-K 368-P 368-U
includes the DCN roles.
34
HELP ROLES provides all roles which can be used
with DCR-numbers
DCN Roles
DCR Roles
CL
EX
DIS
NEW
PRD
USE
DET
RCT
RGT
PUR
TES
......
Claim
Example
Disclosure
New
Produced
Use
Detected
Reactant
Reagent
Purified
Tested
A
C
D
R
S
X
N
P
Q
M
U
.......
Analyzed/Detected
Catalyst
Detecting agent
Purifying agent
Reactant
Substance removed
New compound
Produced
Product
Mixture
Use
35
Example: DCR role searching for preparations
=> S L3/DCR (T) (PRD OR P OR NEW OR N)/DCR
L5
340 L3/DCR (T) (PRD OR P OR NEW OR N)/DCR
L3 = carbapenem
structure search.
=> D AN TI HIT
Use the (T)-operator to link DCR
L5
AN
TI
IT
CMC
ANSWER 1 OF 340 WPIX COPYRIGHT 2013
THOMSON REUTERS on STN
numbers
to their roles (/DCR).
2012-Q75353 [201280]
WPIX
Preparing sterile meropenem trihydrate, used to treat e.g. meningitis,
comprises dissolving meropenem or its hydrate in water in presence of
alcoholic base and in presence/absence of solvent, filtering,
adjusting pH and washing with solvent
UPIT 20121212
. . . . 304-CL 304-RGT 304-USE; 605-CL 605-RGT 605-USE; 1640312-CL
1640312-RGT 1640312-USE; 941-CL 941-RGT 941-USE; 2364594-CL
2364594-PRD; 100514-CL 100514-RCT
UPB
20121221
M2 *31*
D011 D013 D014 D016 D030 D690 F012 F014 F423 H4 H401 H481 H5
H592 H8 H9 J0 J012 J1 PRD,
J111 J3
J5 J521 roles.
L9 L941 M1 M126
P –J311
preparation
M142 M210 M211 M240 M273 M281 M282 M312 M321 M331 M340 M342
NEW,
N M540
– newM640
compound
roles.
M373 M391 M412 M511 M521
M530
M720 M800
N209 N241
N242 N263 N309 N331 N352 N361 N362 N441 N442 N511 N512 N513
P210 P220 P241 P420 P433 P434 P446 P519 P714 P812 P820 M905
M904
RIN: 41252
DCR-2364594:
DCN: RB936T-K RB936T-P
Meropenem trihydrate.
DCR: 2364594-K 2364594-P
36
DCR searches may also be refined using chemical
fragmentation codes (CMC)
=> S L3/DCR (P) (Q262 OR Q263 OR P94!)/M0,M2,M3,M4 L3 = carbapenem
L6
72 L3/DCR (P) (Q262 OR Q263 OR P94!)/M0,M2,M3,M4
structure
=> D AN TI HIT
L6
AN
TI
CMC
(P)
search.
WPIDS/WPIX-users can link DCR
THOMSON
REUTERS on STNcodes
numbers
with fragmentation
via the (P)-proximity operator.
ANSWER 1 OF 72 WPIX COPYRIGHT 2013
2012-P05631 [201275]
WPIX
Composition useful for e.g. implantation or grafting in host organism,
comprises biological material activated by oxygen plasma, and ligand
bound to surface of biological material
UPB
20121121
M2 *11*
D011 D013 D014 D016 D030 D690 F012 F014 F423 G012 G100 H4
H401 H481 H5 H592 H8 H9 J0 J013 J1 J111 J131 J3 J311 J5 J521
L9 L941 M1 M123 M126 M136 M142 M210 M211 M240 M281 M312 M321
M331 M340 M342 M373 M391 M412 M424 M431 M511 M521 M531 M540
M740 M782 N103 P210 P220 P241 P714 P941 Q261 M905 M904
RIN: 41252
DCN: RA9TLK-K RA9TLK-M
DCR: 402340-K 402340-M
DCR-402340: Ertapenem.
Example: Q263 = sunscreen agent. Q262 = skin protection (except Q263). P94+ = burn, wound and skin treatments.
37
Agenda
• What is the DWPI Chemistry Resource (DCR)?
• Chemical name search fields
• Chemical structure searching
• Refining a search with roles
• Multifile searching with REGISTRY/CAplus
38
Multifile structure search example
Search Question:
Search for all patent references of cetirizine,
including salts and mixtures
39
Multifile structure searching using
DCR/DWPI and CAS REGISTRYSM/CAplusSM
1. Prepare a suitable standard structure query for
REGISTRY/CAplus and DCR/DWPI
2. Run the structure search in REGISTRY/CAplus
3. Display CAplus records of interest
4. Run the structure search in DCR/DWPI, and
remove duplicates between CAplus and DWPI
5. Display any additional DWPI records
Note: A comprehensive STN search would also include
CAS MARPAT and DWPI Chemical Fragmentation Codes.
40
Run a sample structure search
=> FILE REGISTRY
=>
Uploading C:\. . . .\My Documents\STN Express 8.5\Queries\cetirizine.str
L1
STRUCTURE UPLOADED
The uploaded structure query (L1).
=> D
L1 HAS NO ANSWERS
L1
STR
Option: display the query (L1), to
verify that the Upload was successful.
Structure attributes must be viewed using STN Express query preparation.
=> S L1 FAM SAM
SAMPLE SEARCH INITIATED 18:44:30 FILE
SAMPLE SCREEN SEARCH COMPLETED . . . .
L2
3 SEA FAM SAM L1
Run a family (FAM) sample (SAM)
'REGISTRY'
search using the query (L1).
14 TO ITERATE
3 compounds are retrieved (L2).
41
Review some answers using D SCAN
=> D SCAN
L2
IN
MF
3 ANSWERS
REGISTRY COPYRIGHT 2013 ACS on STN
Acetic acid, 2-[2-[4-[(R)-(4-chlorophenyl)phenylmethyl]-1piperazinyl]ethoxy]-, sodium salt (1:1)
C21 H25 Cl N2 O3 . Na
Absolute stereochemistry.
The effectiveness of
the query (L1) may be
assessed by reviewing
some records (L2), e.g.
using the free-ofcharge SCAN format.
HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1):2
L2
IN
3 ANSWERS
REGISTRY COPYRIGHT 2013 ACS on STN
Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1piperazinyl]ethoxy]-, 4-methylbenzenesulfonate (1:1)
MF
C21 H25 Cl N2 O3 . C7 H8 O3 S
. . . .
42
Run a full structure search
Run a family (FAM) full-file (FUL)
FULL SEARCH INITIATED 18:45:51 FILE 'REGISTRY'
search using the query (L1).
=> S L1 FAM FUL
FULL SCREEN SEARCH COMPLETED -
413 TO ITERATE
100.0% PROCESSED
413 ITERATIONS
SEARCH TIME: 00.00.01
L3
99 SEA FAM FUL L1
99 ANSWERS
The full file structure search retrieves
99 REGISTRY records (L3).
=> FILE HCAPLUS
=> S L3 AND P/DT
L4
882 L3 AND P/DT
The full file structure search (L3) retrieves
882 patent records (P/DT) in CAplus (L4).
43
Example: CAplus answer retrieved
=> D BIB HITSTR
L4
AN
TI
IN
ANSWER 1 OF 882 HCAPLUS COPYRIGHT 2013 ACS on STN
2012:1899805 HCAPLUS
Conjugate-based antifungal and antibacterial prodrugs
Bapat, Abhijit S.; Mahesh, Gauthami; Gokhale, Rajesh S.; Shah, Sayali
S.; Sengupta, Shiladitya; Prasad, Sudhanand; Ghosh, Sumana; Chawrai,
Suresh R.; Arora, Nidhi; Reddy, D. Sreedhar; Mishra, Mallika; Bajaj,
Kirti
PA
Vyome Biosciences, India
Display CAplus patent
. . . .
records with in-context
FAN.CNT 2
PATENT NO.
KIND
DATE
APPLICATION
NO.
DATE
hit structures
(HITSTR).
--------------------------------------------------PI
WO 2012177986
A2
20121227
WO 2012-US43717
20120622
. . . .
IN 2011DE01770
A
20130104
IN 2011-DE1770
20110622
PRAI IN 2011-DE1770
A
20110622
US 2011-514305P
P
20110802
IT
83881-51-0, Cetirizine
RL: THU (Therapeutic use); BIOL (Biological study); USES (Uses)
(conjugate-based antifungal and antibacterial prodrugs)
RN
83881-51-0 HCAPLUS
CN
Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1piperazinyl]ethoxy]-(CA INDEX NAME)
. . . .
44
Repeat the structure search in DCR
=> FILE WPIX
Access the Derwent World Patents Index
(DWPI) (files WPINDEX, WPIDS or WPIX).
=> S L1 FAM FUL
FULL SEARCH INITIATED 18:46:41 FILE 'WPIX'
the structure search
FULL SCREEN SEARCH COMPLETED 58 Repeat
TO ITERATE
using the same query (L1).
100.0% PROCESSED
SEARCH TIME: 00.00.01
L5
58 ITERATIONS
46 SEA FAM FUL L1
46 ANSWERS
The full file family search
retrieves 46 DCR records (L5).
=> S L5/DCR
L6
695 L5/DCR
The 46 DCR records (L5) retrieve
695 patent records (L6).
45
Retrieve the unique DWPI records
=> TRANSFER L4 1- PNK
L7
L8
TRANSFER L4 1- PNK :
1005 L7
=> S L6 NOT L8
L9
122 L6 NOT L8
Use TRANSFER PNK to
5371
TERMSthe CAplus
crossover
results (L4) to DWPI (L8).
The DCR/DWPI search (L6) adds
122 unique inventions (L9) to the
REGISTRY/CAplus results (L4).
PNK = The patent number/kind code field. This is the most precise field
to use when crossing over results between STN patent databases.
46
Review the unique DWPI records
=> D AN TI 1-122
. . . .
L9
ANSWER 3 OF 122 WPIX COPYRIGHT 2013
THOMSON REUTERS on STN
AN
2012-C62644 [201240]
WPIX
TI
Resolution of L-levocetirizine involves adding racemic benzyl
piperazine compound and chiral ionic liquid to reaction container,
reacting, extracting, separating, concentrating and crystallizing
. . . .
L9
ANSWER 18 OF 122 WPIX COPYRIGHT 2013
THOMSON REUTERS on STN
AN
2010-F66310 [201037]
WPIX
TI
Making levocetirizine involves resolving pair of diastereomer of
piperazine compound into single diastereomer, and converting single
diastereomer of piperazine compound with
1-((4-chloro-phenyl)-phenyl-methyl)-piperazine into levocetirizine
. . . .
L9
ANSWER 43 OF 122 WPIX COPYRIGHT 2013
THOMSON REUTERS on STN
AN
2009-J67366 [200936]
WPIX
TI
Orally disintegrating tablet useful for delivering main ingredient
e.g. cetirizine hydrochloride for treating allergy, comprises main
ingredient having specified water solubility and does not contain
binder
. . . .
L9
ANSWER 51 OF 122 WPIX COPYRIGHT 2013
THOMSON REUTERS on STN
AN
2009-E73509 [200916]
WPIX
TI
Medical products useful for treating respiratory disorders, comprises
dry powder medicament dose containing tiotropium and container
adapted for use in dry powder inhaler
. . . .
47
What is unique to DWPI/DCR?*
* 22nd January 2013
48
What is unique to DWPI/DCR?* (cont.)
Preparation
Preparation of intermediate
Highly relevant formulations
Other formulations
Methods of disease treatment
Devices, equipment
* 22nd January 2013
4
1
28
66
13
10
122 unique
49
Resources
• DWPI on STN User Documentation
http://www.stn-international.com/stn_dwpi.html
‒ DWPI on STN Reference Manual
‒ DCR Reference Manual
‒ DWPI Classification (DC) guide
‒ Summary table of member level data coverage
‒ Global Patent Sources – DWPI coverage in detail
‒ Chemistry, Engineering and Polymer User Guides
• DWPI on STN database summary sheet
http://www.stn-international.com/wpindex.html
Summary
• DCR is an important resource for specific compounds
disclosed in patents
• DCR records are often a very useful source of
synonyms for chemical compounds
• DCR can be searched using standard STN structure
queries as used in REGISTRY
• DCR searches can be refined using roles and
chemical fragmentation codes
• Extend your STN structure searches to include DCR to
ensure the most comprehensive results
For more information …
CAS
help@cas.org
Support and Training:
www.cas.org
FIZ Karlsruhe
helpdesk@fiz-karlsruhe.de
Support and Training:
www.stn-international.de
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