SCHEMBL541933

SCHEMBL541933

CCCCC(CC)COC(=O)OC1CCCCC1OC(=O)OCC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 7/20 0.47
CA2 P00918 4/20 0.47
RECQL P46063 1/20 0.45
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CA1 P00915 1/20 0.36

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
SCHEMBL1079718 0.96 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1080693 0.96 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1078133 0.95 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1080263 0.93 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1080506 0.92 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1079399 0.92 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1079104 0.91 CYP3A4 (0.45) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1078440 0.91 CYP3A4 (0.45) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1079789 0.90 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1078840 0.90 CYP3A4 (0.44) CYP3A4TSHRTDP1ATMALDH1A1

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 57 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 claimed
EP-2903959-A1 METHOD FOR PRODUCING CYCLOHEXANECARBOXYLIC ACID DERIVATIVES WITH A LOW PROPORTION OF BY-PRODUCTS BASF SE (DE) 2015-08-12 EP claimed
WO-2014053618-A1 METHOD FOR PRODUCING CYCLOHEXANECARBOXYLIC ACID DERIVATIVES WITH A LOW PROPORTION OF BY-PRODUCTS BASF SE (DE) 2014-04-10 WO claimed
EP-1601391-B1 REDUCTION OF COMPLEMENT ACTIVATION IN MEDICAL DEVICES NAKEL MATHIAS (DE) 2006-07-05 EP claimed
EP-1603982-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP claimed
WO-2004098547-A1 COSMETIC COMPOSITIONS COMPRISING CYCLOHEXANEPOLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-11-18 WO claimed
EP-1475071-A1 Cosmetic compositions comprising cyclohexanepolycarboxylic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-11-10 EP claimed
WO-2004081127-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO claimed
EP-3931175-B1 METHOD FOR PROCESSING BENZENE POLYCARBOXYLIC ACID ESTERS AND USE OF SAME TO PRODUCE CYCLOHEXANE POLYCARBOXYLIC ACID ESTERS BASF SE (DE) 2024-04-10 EP disclosed
EP-3931175-A1 METHOD FOR PROCESSING BENZENE POLYCARBOXYLIC ACID ESTERS AND USE OF SAME TO PRODUCE CYCLOHEXANE POLYCARBOXYLIC ACID ESTERS BASF SE (DE) 2022-01-05 EP disclosed
EP-1363868-B1 METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF BASF SE (DE) 2017-11-01 EP disclosed
EP-2903959-B1 METHOD FOR THE PREPARATION OF CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES WITH LOW PROPORTION OF BY-PRODUCT BASF SE (DE) 2017-08-23 EP disclosed
EP-1603982-B1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2017-01-25 EP disclosed
EP-2903959-A1 METHOD FOR PRODUCING CYCLOHEXANECARBOXYLIC ACID DERIVATIVES WITH A LOW PROPORTION OF BY-PRODUCTS BASF SE (DE) 2015-08-12 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-2001067860-A1 AGROTECHNICAL FORMULATION BASF AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO 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
EP-1042273-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 2000-10-11 EP disclosed
WO-1999032427-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed