SCHEMBL4541964

SCHEMBL4541964

C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[P+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TRPA1 O75762 1/20 0.34
TAAR1 Q96RJ0 4/20 0.33
SLC6A2 P23975 2/20 0.33
PTGS2 P35354 1/20 0.33
MAOA P21397 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
SCHEMBL307860 0.91 ALDH1A1 (0.44) TDP1ALDH1A1TSHRL3MBTL1LMNA
Lithium Ion SCHEMBL7103420 0.88 ALDH1A1 (0.41) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL21810848 0.88 ALDH1A1 (0.41) TDP1ALDH1A1TSHRL3MBTL1LMNA
Tetramethylammonium Ion SCHEMBL7104712 0.82 APOBEC3A (0.39) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL1002546 0.79 TAAR1 (0.40) TDP1ALDH1A1TSHRLMNAALOX12
Methenamine SCHEMBL20164091 0.74 CYP2C9 (0.38) ALDH1A1
SCHEMBL20597141 0.71 ALDH1A1 (0.44) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL7029427 0.71 TSHR (0.47) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL8756322 0.71 ALDH1A1 (0.37) TDP1ALDH1A1TSHRLMNAALOX12
Lithium Ion SCHEMBL5268857 0.69 ALDH1A1 (0.41) TDP1ALDH1A1TSHRL3MBTL1LMNA

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 4 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