Dodecanoate

Dodecanoate

SCHEMBL583704

CCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.O=C(O)c1ccccc1C(=O)O

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.63
PPARG P37231 7/20 0.63
PPARD Q03181 7/20 0.63
PPARA Q07869 7/20 0.63
HDAC11 Q96DB2 5/20 0.63
TSHR P16473 4/20 0.63
PTPN1 P18031 3/20 0.63
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 3/20 0.63
TLR2 O60603 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
FABP4 P15090 2/20 0.63
MEN1 O00255 2/20 0.63
SLC22A6 Q4U2R8 1/20 0.63
SLC22A8 Q8TCC7 1/20 0.63
ESR1 P03372 1/20 0.63
ALOX15 P16050 1/20 0.63
PDE4A P27815 1/20 0.63
PDE3A Q14432 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
Phthalic Acid SCHEMBL2552832 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL1446708 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL30439126 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Phthalic Acid SCHEMBL6568928 0.98 AKR1B1 (0.61) GPR84PPARGPPARDPPARAHDAC11
Oleic Acid SCHEMBL15209668 0.91 PPARG (0.70) PPARGPPARDPPARATSHRPTPN1
Erucic Acid SCHEMBL28429246 0.91 PPARG (0.70) PPARGPPARDPPARATSHRPTPN1
Oleic Acid SCHEMBL15209670 0.91 PPARG (0.70) PPARGPPARDPPARATSHRPTPN1
Phthalic Acid SCHEMBL28653607 0.90 ALDH1A1 (0.64) TSHRALDH1A1KMT2AMEN1ALOX15
Phthalic Acid SCHEMBL29793929 0.90 ALDH1A1 (0.64) TSHRALDH1A1KMT2AMEN1ALOX15
Sebacic Acid SCHEMBL8362100 0.90 ALDH1A1 (0.64) HDAC11TSHRALDH1A1TDP1FABP4

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 103 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
US-7355084-B2 Method for hydrogenating organic compounds by means of Ru/SiO2 catalysts BASF AKTIENGESELLSCHAFT (DE) 2008-04-08 US claimed
US-7337913-B2 Single piece closure device made of PVC BASF AKTIENGESELLSCHAFT (DE) 2008-03-04 US claimed
EP-1472312-B1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AG (DE) 2006-11-15 EP claimed
US-20060178446-A1 Printing inks comprising cyclohexane polycarboxylic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-08-10 US claimed
CN-1241882-C Method for hydrogenating organic compounds by means of RU/SIO2 catalysts BASF AG (DE) 2006-02-15 CN claimed
EP-1603982-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP claimed
US-20050106405-A1 Single piece closure device made of pvc BASF AKTIENGESELLSCHAFT (DE) 2005-05-19 US 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
US-20040199033-A1 Method for hydrogenating organic compounds by means of ru/sio2 catalysts BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 US claimed
WO-2004081127-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO claimed
EP-1412082-A1 METHOD FOR HYDROGENATING ORGANIC COMPOUNDS BY MEANS OF RU/SIO2 CATALYSTS BASF Aktiengesellschaft (DE) 2004-04-28 EP claimed
WO-2002100536-A1 METHOD FOR HYDROGENATING ORGANIC COMPOUNDS BY MEANS OF RU/SIO2 CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO claimed
EP-1511562-B1 METHOD FOR HYDROGENATING AROMATIC COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2018-10-10 EP disclosed
EP-1603982-B1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2017-01-25 EP disclosed
CN-102959031-B As the terephthalic acid 2-ethylhexyl methyl ester of softening agent in tackiness agent and sealing agent BASF SE (DE) 2016-02-10 CN disclosed
WO-2003029181-A1 ALICYCLIC POLYCARBOXYLIC ACID ESTER MIXTURES WITH A HIGH TRANS PROPORTION AND METHOD FOR THE PRODUCTION THEREOF OXENO OLEFINCHEMIE GMBH (DE) 2003-04-10 WO disclosed
WO-2003029168-A2 MIXTURE OF ALICYCLIC POLYCARBOXYLIC ACID ESTERS HAVING A HIGH CIS ISOMER CONTENT OXENO OLEFINCHEMIE GMBH (DE) 2003-04-10 WO disclosed
WO-2002100536-A1 METHOD FOR HYDROGENATING ORGANIC COMPOUNDS BY MEANS OF RU/SIO2 CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed