SCHEMBL4383948

SCHEMBL4383948

CC[P+](CC)(c1ccccc1)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.32
ESR1 P03372 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TRPA1 O75762 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Iodide SCHEMBL2029525 0.84 HIF1A (0.43) HIF1ALMNAALDH1A1TP53ESR1
Bromide SCHEMBL5088201 0.84 HIF1A (0.43) HIF1ALMNAALDH1A1TP53ESR1
Hydrochloric Acid SCHEMBL5087717 0.84 HIF1A (0.43) HIF1ALMNAALDH1A1TP53ESR1
Water SCHEMBL2032977 0.84 HIF1A (0.43) HIF1ALMNAALDH1A1TP53ESR1
SCHEMBL4395867 0.83 HIF1A (0.46) HIF1ALMNAALDH1A1NPSR1HSD17B10
SCHEMBL7871179 0.81 HIF1A (0.42) HIF1ALMNAALDH1A1TP53ESR1
SCHEMBL10402213 0.81 HIF1A (0.34) HIF1ALMNAALDH1A1NPSR1HSD17B10
SCHEMBL4391079 0.79 LMNA (0.39) LMNAALDH1A1NPSR1HSD17B10TP53
SCHEMBL7865391 0.79 HIF1A (0.40) HIF1ALMNAALDH1A1TP53ESR1
SCHEMBL8390866 0.79 TAAR1 (0.39) LMNAALDH1A1NPSR1HSD17B10TP53

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