SCHEMBL7066945

SCHEMBL7066945

C=C(CC(CC)(C(=O)OCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
MAPT P10636 1/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLO1 Q04760 1/20 0.33
THRB P10828 2/20 0.33
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2770601 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL11996079 0.85 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL23718675 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL23736641 0.83 THRB (0.42) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL23718668 0.83 TSHR (0.41) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL26597356 0.83 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL11254716 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL12677204 0.80 CYP2D6 (0.35) ALDH1A1TSHRNPSR1CYP2C9CYP2C19
SCHEMBL22490385 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL7067023 0.79 MMP8 (0.42) MEN1KMT2AALDH1A1TSHRNPSR1

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 13 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
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
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
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
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