SCHEMBL7068669

SCHEMBL7068669

C=C(CC(C(=O)OCC)C(=O)OCC)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
NPC1 O15118 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.49
MMP8 P22894 2/20 0.48
PIN1 Q13526 1/20 0.46
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5924624 0.95 KMT2A (0.55) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL29000610 0.85 KMT2A (0.55) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL29110220 0.85 KMT2A (0.55) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL5924617 0.85 KMT2A (0.56) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL23657544 0.84 NPC1 (0.54) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL23657548 0.84 NPC1 (0.54) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL6014923 0.83 KMT2A (0.75) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL5924980 0.80 TSHR (0.50) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL3589983 0.78 KMT2A (0.51) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL10830586 0.78 KMT2A (0.73) KMT2ANPC1MEN1ALDH1A1MAPT

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 10 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 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