SCHEMBL1079969

SCHEMBL1079969

COC(=O)OC1CC(OC(=O)OC)CC(OC(=O)OC)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CHRNA4 P43681 3/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
HTR3A P46098 3/20 0.32
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CYP1A2 P05177 2/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2431032 0.91 HTR3E (0.32) CHRNA7CHRM2CHRM1CHRM3HTR3A
SCHEMBL1077908 0.91 HTR3E (0.32) CHRNA7CHRM2CHRM1CHRM3HTR3A
SCHEMBL1078770 0.85 SERPINE1 (0.42) ALDH1A1CHRM2CHRM1CHRM3CHRM4
SCHEMBL1078014 0.83 EPHX1 (0.39) ALDH1A1CHRM2CHRM1CHRM3CHRM4
SCHEMBL697519 0.83
SCHEMBL9695696 0.82 CHRNB2 (0.31) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL1078866 0.80 EPHX1 (0.47) ALDH1A1TSHRSMN1; SMN2CYP2C19EPHX1
SCHEMBL10344338 0.79 EPHX1 (0.45) ALDH1A1TSHRSMN1; SMN2CYP2C19EPHX1
SCHEMBL698655 0.79
SCHEMBL305953 0.79 EPHX1 (0.50) ALDH1A1TSHRSMN1; SMN2CYP2C19EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603982-B1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2017-01-25 EP disclosed
EP-2576674-B1 PROCESS FOR MAKING EXPANDABLE COMPOSITIONS BASED ON STYRENEPOLYMER BASF SE (DE) 2014-08-27 EP disclosed
EP-2362861-B1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR REMOVING DUST FROM CHEMICAL CONSTRUCTION PRODUCTS CONSTR RES & TECH GMBH (DE) 2014-05-07 EP disclosed
EP-2456840-B1 ADHESIVES AND SEALANTS WHICH CONTAIN CYCLOHEXANE DICARBOXYLIC ACID ESTERS BASF SE (DE) 2013-07-17 EP disclosed
EP-2576674-A1 METHOD FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS BASF SE (DE) 2013-04-10 EP disclosed
EP-2370374-B1 USE OF POLYOLS AND CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR THE REMOVAL OF DUST FROM CHEMICAL CONSTRUCTION PRODUCTS CONSTR RES & TECH GMBH (DE) 2012-11-14 EP disclosed
EP-2456840-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-05-30 EP disclosed
EP-2373716-A1 CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES AS PLASTICIZERS FOR ADHESIVES AND SEALANTS BASF SE (DE) 2011-10-12 EP disclosed
EP-2370374-A1 USE OF POLYOLS AND CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR THE REMOVAL OF DUST FROM CHEMICAL CONSTRUCTION PRODUCTS Construction Research & Technology GmbH (DE) 2011-10-05 EP disclosed
EP-2362861-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR REMOVING DUST FROM CHEMICAL CONSTRUCTION PRODUCTS Construction Research & Technology GmbH (DE) 2011-09-07 EP disclosed
EP-1475071-A1 Cosmetic compositions comprising cyclohexanepolycarboxylic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-11-10 EP disclosed
EP-1472312-A1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AKTIENGESELLSCHAFT (DE) 2004-11-03 EP disclosed
WO-2004081127-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed
EP-1272033-B1 AGROTECHNICAL FORMULATION BASF AG (DE) 2004-06-09 EP disclosed
WO-2003064512-A1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 WO disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
EP-1192212-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AKTIENGESELLSCHAFT (DE) 2002-04-03 EP disclosed
WO-2000078853-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed