SCHEMBL4591972

SCHEMBL4591972

C=CC(=O)OCCOC(C)C(OCCOC(=O)C=C)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
EDNRB P24530 10/20 0.39
EDNRA P25101 10/20 0.39
TSHR P16473 6/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP3A4 P08684 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
SCHEMBL10895273 0.82 THRB (0.39) THRBEDNRBEDNRATSHRPOLB
SCHEMBL10437472 0.79 THRB (0.56) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17320925 0.79 THRB (0.59) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL30510189 0.78 THRB (0.52) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4591970 0.78 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6537025 0.77 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL11340898 0.74 ALDH1A1 (0.36) EDNRBEDNRAALDH1A1HSD17B10POLB
SCHEMBL23412734 0.74 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9848771 0.74 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL237884 0.72 TSHR (0.45) THRBEDNRBEDNRATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1913103-A1 STRONGLY ADHERENT COATINGS Ciba Specialty Chemicals Holding Inc. (CH) 2008-04-23 EP claimed
WO-2007020187-A1 STRONGLY ADHERENT COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-02-22 WO claimed
CN-105358527-A Oxime ester photoinitiators BASF SE 2016-02-24 CN disclosed
CN-105199018-A Novel oxime ester photoinitiator as well as preparation and application thereof Changzhou jiuri chemical co ltd 2015-12-30 CN disclosed
CN-104987435-A Benzophenone macromolecular photoinitiator and preparation method thereof TIANJIN JIURI CHEMICAL CO LTD 2015-10-21 CN disclosed
CN-104974053-A Novel aminoketones photoinitiator and application in UV-LED photocuring system TIANJIN JIURI CHEMICAL CO LTD 2015-10-14 CN disclosed
CN-104910131-A New thioxanthone carboxylic ester photoinitiator and preparation method thereof TIANJIN JIURI CHEMICAL CO LTD 2015-09-16 CN disclosed
CN-104892798-A Novel thioxanthone photoinitiator and application of UV-LED (ultraviolet-light-emitting diode) light curing TIANJIN JIURI CHEMICAL CO LTD 2015-09-09 CN disclosed
CN-104487462-A Photopolymerization method and novel compound used for the same LAMBSON LTD 2015-04-01 CN disclosed
EP-1902078-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION Ciba Specialty Chemicals Holding, Inc. (CH) 2008-03-26 EP disclosed
EP-1902019-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-03-26 EP disclosed
EP-1836002-A2 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS Ciba Specialty Chemicals Holding Inc. (CH) 2007-09-26 EP disclosed
WO-2007006648-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-18 WO disclosed
WO-2007003507-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 WO disclosed
WO-2006067061-A2 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-29 WO disclosed