SCHEMBL4389367

SCHEMBL4389367

c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc2c([P+](c3cccc4ccccc34)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
HSD17B10 Q99714 6/20 0.37
TSHR P16473 4/20 0.37
CYP2A6 P11509 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 4/20 0.35
CYP3A4 P08684 2/20 0.35
KEAP1 Q14145 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
HPRT1 P00492 1/20 0.34
TP53 P04637 2/20 0.34
ATM Q13315 2/20 0.34
CDC25B P30305 2/20 0.34
ALOX15 P16050 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL4389702 0.91 ALDH1A1 (0.33) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Water SCHEMBL4389571 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Iodide SCHEMBL11122555 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL7872912 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Bromide SCHEMBL7877244 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL7877233 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL29445689 0.78 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL4388670 0.78 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Phenol SCHEMBL7877192 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL29405234 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629431-B2 Polycarbonate prepolymer for solid phase polymerization and process for producing polycarbonate IDEMITSU KOSAN CO., LTD. (JP) 2009-12-08 US disclosed
US-7390868-B2 Catalyst for polycarbonate production and process for producing polycarbonate NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-06-24 US disclosed
US-20080064847-A1 Oxidative carbonylation; molecular weight control IDEMISU KOSAN CO., LTD. (JP) 2008-03-13 US disclosed
US-20070043199-A1 Catalyst for polycarbonate production and process for producing polycarbonate IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed
US-5922826-A TRANSESTERIFICATION IN PRESENCE OF A POLYMERIZATION CATALYST CONTAINING AN ORGANONITROGEN COMPOUND AND A QUATERNARY PHOSPHONIUM SALT TO PRODUCE POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 1999-07-13 US disclosed
EP-0807657-A1 PROCESS FOR PRODUCING POLYCARBONATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-11-19 EP disclosed