SCHEMBL7064865

SCHEMBL7064865

C=C(C(=O)OC(C)(C)C)C(C)C(C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.37
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
PKM P14618 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSL P07711 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL4414269 0.74 MMP8 (0.48) MMP8CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL29033955 0.71 CA1 (0.34) MEN1KMT2A
SCHEMBL7064973 0.71 MMP8 (0.33) MMP8CYP1A2CYP2C9CYP2C19HTT
SCHEMBL6744698 0.70 DGAT1 (0.33) TSHR
SCHEMBL3277580 0.70 MMP8 (0.48) MMP8CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL31674074 0.70 MMP8 (0.44) MMP8CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL3864269 0.70 ALDH1A1 (0.44) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10618294 0.69 MMP8 (0.38) MMP8CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL541982 0.69 TP53 (0.38) TSHR
SCHEMBL2294428 0.68 ALDH1A1 (0.43) CYP4F2CYP4A11TSHRALDH1A1CYP1A2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149211-A1 Free radical initiated polymerization of unsaturated monomers with the use of a allylic chain transfer agent for molecular weight control AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-08-07 US claimed
CN-1389451-A Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 2003-01-08 CN claimed
EP-0729449-B1 ALLYLIC CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 2000-02-02 EP claimed
US-5773543-A FOR FREE RADICAL INITIATED POLYMERIZATION OF UNSATURATED SPECIES; MOLECULAR WEIGHT CONTROL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-06-30 US claimed
EP-0729449-A4 ALLYLIC CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 1997-01-22 EP claimed
CN-1138320-A Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 1996-12-18 CN claimed
EP-0729449-A1 ALLYLIC CHAIN TRANSFER AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-09-04 EP claimed
WO-1995012568-A1 ALLYLIC CHAIN TRANSFER AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-05-11 WO claimed
US-20030149211-A1 Free radical initiated polymerization of unsaturated monomers with the use of a allylic chain transfer agent for molecular weight control AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-08-07 US disclosed
CN-1389451-A Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 2003-01-08 CN disclosed
CN-1082965-C Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 2002-04-17 CN disclosed
EP-0729449-B1 ALLYLIC CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 2000-02-02 EP disclosed
US-5977278-A Polymers formed from allylic chain transfer agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
US-5773543-A FOR FREE RADICAL INITIATED POLYMERIZATION OF UNSATURATED SPECIES; MOLECULAR WEIGHT CONTROL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-06-30 US disclosed
EP-0729449-A4 ALLYLIC CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 1997-01-22 EP disclosed
CN-1138320-A Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 1996-12-18 CN disclosed
EP-0729449-A1 ALLYLIC CHAIN TRANSFER AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-09-04 EP disclosed
WO-1995012568-A1 ALLYLIC CHAIN TRANSFER AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-05-11 WO disclosed