SCHEMBL7640283

SCHEMBL7640283

C=[Zr](C)(C)(Cl)(Cl)(C1C(c2ccccc2)=Cc2c(-c3ccccc3)cccc21)C1C(c2ccccc2)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
HTR2B P41595 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
BRD4 O60885 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
SCHEMBL7643714 0.87 PDCD1 (0.32) CYP2A6CHRNB2CHRNA4HTR1AHTR7
SCHEMBL7645412 0.81 CYP19A1 (0.30)
SCHEMBL7640245 0.80
SCHEMBL7637752 0.75
SCHEMBL28351866 0.75 CHRNB2 (0.33) CHRNB2CHRNA4BRD4
SCHEMBL7719075 0.75 PDCD1 (0.32) CYP2A6CHRNB2CHRNA4HTR1AHTR7
SCHEMBL7935166 0.75 PDCD1 (0.32) CYP2A6CHRNB2CHRNA4HTR1AHTR7
SCHEMBL8830685 0.75 PDCD1 (0.32) CYP2A6CHRNB2CHRNA4HTR1AHTR7
SCHEMBL5067417 0.73 PDCD1 (0.33) CHRNB2CHRNA4HTR1AHTR7HTR2B
SCHEMBL2856357 0.72 PDCD1 (0.30)

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-6472490-B1 AN ETHYLENE-AROMATIC VINYL COMPOUND COPOLYMER HAVING AN AROMATIC VINYL COMPOUND CONTENT OF FROM 1 TO LESS THAN 55% BY MOLAR FRACTION, WHICH HAS A HAZE OF AT MOST 41.5% WHEN MOLDED; METHINE DYES DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-10-29 US disclosed
US-6348556-B1 COORDINATION CATALYST OF TRANSITION METAL COMPLEX CONTAINING INDENYL GROUP(S) AND COCATALYST; ISOTACTIC; CATALYSIS, ADDITION COPOLYMERIZATION DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-02-19 US disclosed
US-6066709-A Ethylene-aromatic vinyl compound copolymer and method for its production DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-23 US disclosed
US-5883213-A STEREOREGULARITY DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-03-16 US disclosed