SCHEMBL8655772

SCHEMBL8655772

c1ccc2c(P(CP(c3cccc4ccccc34)c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 5/20 0.43
TSHR P16473 3/20 0.43
CYP2A6 P11509 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
RECQL P46063 1/20 0.42
CYP1A2 P05177 6/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP2C19 P33261 3/20 0.40

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
SCHEMBL11125323 0.86 CYP1A2 (0.45) CA12CA3CA4CA6CA5A
SCHEMBL11129209 0.82 CYP1A2 (0.42) CA12CA3CA4CA6CA5A
SCHEMBL4623670 0.82 ALDH1A1 (0.43) CA12CA3CA4CA6CA5A
SCHEMBL8051835 0.82 CYP1A2 (0.42) CA12CA3CA4CA6CA5A
SCHEMBL15657844 0.80 CYP1A2 (0.41) CA12CA3CA4CA6CA5A
SCHEMBL4454856 0.80 CYP1A2 (0.41) CA12CA3CA4CA6CA5A
SCHEMBL15657780 0.80 CYP1A2 (0.41) CA12CA3CA4CA6CA5A
SCHEMBL517685 0.79 ALDH1A1 (0.53) CA12CA3CA4CA6CA5A
SCHEMBL8846547 0.79 TDP1 (0.40) CA12CA3CA4CA6CA5A
SCHEMBL15657827 0.79 ALDH1A1 (0.40) CA12CA3CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
EP-0729448-B1 PROCESS FOR THE PREPARATION OF ETHYLENICALLY UNSATURATED COMPOUNDS SHELL INT RESEARCH (NL) 1998-10-14 EP disclosed
EP-0729448-A1 PROCESS FOR THE PREPARATION OF ETHYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-09-04 EP disclosed
WO-1995014001-A1 PROCESS FOR THE PREPARATION OF ETHYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-05-26 WO disclosed