SCHEMBL891727

SCHEMBL891727

C=CCC(CC=C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.64
GRIK2 Q13002 8/20 0.64
CPA1 P15085 1/20 0.61
CYP2C19 P33261 1/20 0.45
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCC4 O15439 1/20 0.37
MAPT P10636 1/20 0.37
TBXAS1 P24557 1/20 0.36
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6050002 0.92 GRIK1 (0.75) GRIK1GRIK2CPA1CYP2C19CHRM1
SCHEMBL6402173 0.90 GRIK1 (0.55) GRIK1GRIK2CPA1CYP2C19CHRM1
SCHEMBL10625605 0.87
SCHEMBL1045275 0.86 GRIK1 (0.57) GRIK1GRIK2CPA1CYP2C19ABCC4
SCHEMBL24215021 0.85 GRIK1 (0.55) GRIK1GRIK2CPA1CYP2C19TDP1
SCHEMBL9503286 0.85
SCHEMBL56402 0.85 GRIK1 (0.55) GRIK1GRIK2CPA1CYP2C19TDP1
SCHEMBL7114024 0.85 GRIK1 (0.55) GRIK1GRIK2CPA1CYP2C19TDP1
SCHEMBL88549 0.85
SCHEMBL17799785 0.85 GRIK1 (0.55) GRIK1GRIK2CPA1CYP2C19FOLH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109580831-B Method for measuring related substances of sodium valproate oral solution 四川健能制药有限公司 2022-05-13 CN claimed
CN-101393181-B Method for determining related substances in divalproex sodium SHAANXI DAY DRUG RES AND DEV LTD 2012-04-25 CN claimed
CN-101393181-A Method for measuring relative material of sodium divalproate SHAANXI DAY DRUG RES AND DEV L (CN) 2009-03-25 CN claimed
WO-2008052265-A1 A PROTHROMBOGENIC BIOMATERIAL FOR TISSUE REPAIR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2008-05-08 WO claimed
EP-1232008-B1 PROCESS TO SEPARATE A RHODIUM/PHOSPHITE LIGAND COMPLEX AND FREE PHOSPHITE LIGAND COMPLEX FROM A HYDROFORMYLATION MIXTURE DSM NV (NL) 2003-07-23 EP claimed
WO-2002083618-A1 CONTINUOUS HYDROFORMYLATION PROCESS FOR FORMING AN ALDEHYDE DSM IP ASSETS B.V. (NL) 2002-10-24 WO claimed
EP-1251122-A1 Process for the preparation of epsilon-Caprolactam DSM N.V. (NL) 2002-10-23 EP claimed
EP-1249444-A1 Continuous hydroformylation process for forming an aldehyde DSM N.V. (NL) 2002-10-16 EP claimed
EP-0937028-B1 PROCESS FOR THE CONTINUOUS PREPARATION OF AN ALKYL 5-FORMYLVALERATE COMPOUND DSM NV (NL) 2001-10-04 EP claimed
EP-0815073-B1 PROCESS FOR HYDROCYANATION IN THE PRESENCE OF ZERO-VALENT NICKEL, A BIDENTATE PHOSPHOROUS COMPOUND AND A LEWIS ACID DU PONT (US) 2001-07-18 EP claimed
EP-0755302-B1 BIDENTATE PHOSPHITE AND NICKEL CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS DU PONT (US) 2000-10-04 EP claimed
EP-0730574-B1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS DU PONT (US) 1998-08-19 EP claimed
EP-0815073-A1 PROCESS FOR HYDROCYANATION IN THE PRESENCE OF ZERO-VALENT NICKEL, A BIDENTATE PHOSPHOROUS COMPOUND AND A LEWIS ACID E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-01-07 EP claimed
WO-1996029303-A1 PROCESS FOR HYDROCYANATION IN THE PRESENCE OF ZERO-VALENT NICKEL, A BIDENTATE PHOSPHOROUS COMPOUND AND A LEWIS ACID E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-26 WO claimed
EP-0471973-B1 Thermoplastic compositions based on vinyl-aromatic graft copolymer and polyamide ENICHEM SPA (IT) 1996-09-25 EP claimed
US-5523453-A USING NICKEL COMPLEX CATALYST AND LEWIS ACID PROMOTER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-06-04 US claimed
US-5304597-A Impact resistance ECP ENICHEM POLIMERI S.R.L. (IT) 1994-04-19 US claimed
US-5191104-A Complex catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-02 US claimed
EP-0478074-A2 Alkoxylation of carboxylated compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-04-01 EP claimed
EP-0471973-A2 Thermoplastic compositions based on vinyl-aromatic graft copolymer and polyamide ENICHEM S.p.A. (IT) 1992-02-26 EP claimed