SCHEMBL1241093

SCHEMBL1241093

Cc1cc(P(c2ccccc2)c2cc(C)c(Br)cc2C)c(C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
GPR27 Q9NS67 1/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD1 P21728 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL12889878 0.84 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL18686111 0.82 CYP3A4 (0.42) CYP3A4TDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL30138990 0.82 CYP3A4 (0.42) CYP3A4TDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL14603699 0.81 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL15710239 0.73 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1ESR1ESR2
SCHEMBL15710240 0.73 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1ESR1ESR2
SCHEMBL30138939 0.73 CYP3A4 (0.50) CYP3A4TDP1CYP1A2ESR1ESR2
SCHEMBL10796893 0.72 TDP1 (0.44) CYP3A4TDP1ALDH1A1ESR1ESR2
SCHEMBL9165318 0.72 TDP1 (0.44) CYP3A4TDP1ALDH1A1CYP1A2ESR1
SCHEMBL29535212 0.70 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1CYP1A2ESR1

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
EP-1660608-B1 OLIGOMER AND POLYMER COMPRISING TRIPHENYL PHOSPHINE UNITS MERCK PATENT GMBH (DE) 2015-07-08 EP disclosed
EP-1660608-B1 OLIGOMER AND POLYMER COMPRISING TRIPHENYL PHOSPHINE UNITS MERCK PATENT GMBH (DE) 2015-07-08 EP disclosed
US-7893172-B2 Oligomer and polymer comprising triphenyl phosphine units MERCK PATENT GMBH (DE) 2011-02-22 US disclosed
US-7893172-B2 Oligomer and polymer comprising triphenyl phosphine units MERCK PATENT GMBH (DE) 2011-02-22 US disclosed
US-7893172-B2 Oligomer and polymer comprising triphenyl phosphine units MERCK PATENT GMBH (DE) 2011-02-22 US disclosed
US-20070031698-A1 Oligomer and polymer comprising triphenyl phosphine units COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-02-08 US disclosed
US-20070031698-A1 Oligomer and polymer comprising triphenyl phosphine units COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-02-08 US disclosed
US-20070031698-A1 Oligomer and polymer comprising triphenyl phosphine units COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-02-08 US disclosed
EP-1660608-A1 OLIGOMER AND POLYMER COMPRISING TRIPHENYL PHOSPHINE UNITS Covion Organic Semiconductors GmbH (DE) 2006-05-31 EP disclosed
WO-2005017065-A1 OLIGOMER AND POLYMER COMPRISING TRIPHENYL PHOSPHINE UNITS COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-02-24 WO disclosed