SCHEMBL15051981

SCHEMBL15051981

BCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.59
KCNH2 Q12809 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CHRM4 P08173 4/20 0.35
CHRM5 P08912 4/20 0.35
CHRM3 P20309 4/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35

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
SCHEMBL532850 0.98 KIF11 (0.61) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Water SCHEMBL28757871 0.95 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL4606388 0.95 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL810137 0.89 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8365385 0.85 SIGMAR1 (0.50) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL7092683 0.83 KIF11 (0.54) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Diethylaniline SCHEMBL6747844 0.80 KIF11 (0.44) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Tetrabuthylammonium SCHEMBL22518565 0.80 KIF11 (0.44) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8772344 0.79 KIF11 (0.43) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1149158 0.77 KIF11 (0.64) KIF11KCNH2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10175174-B2 Photoactivated chemical bleaching of dyes GE HEALTHCARE BIO-SCIENCES CORP. (US) 2019-01-08 US disclosed
EP-2932270-B1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES GE HEALTHCARE BIO SCIENCES CORP (US) 2018-10-24 EP disclosed
EP-2794908-B1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES GEN ELECTRIC (US) 2017-08-02 EP disclosed
US-9250245-B2 Photoactivated chemical bleaching of dyes GENERAL ELECTRIC COMPANY (US) 2016-02-02 US disclosed
US-20150316482-A1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES LEICA MICROSYSTEMS CMS GMBH (DE) 2015-11-05 US disclosed
EP-2932270-A1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES Clarient Diagnostic Services, Inc. (US) 2015-10-21 EP disclosed
EP-2794908-A1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES General Electric Company (US) 2014-10-29 EP disclosed
WO-2014093455-A1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES CLARIENT DIAGNOSTIC SERVICES, INC. (US) 2014-06-19 WO disclosed
US-20130345089-A1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES GENERAL ELECTRIC COMPANY (US) 2013-12-26 US disclosed
US-8568991-B2 Photoactivated chemical bleaching of dyes GENERAL ELECTRIC COMPANY (US) 2013-10-29 US disclosed
WO-2013095896-A1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES GENERAL ELECTRIC COMPANY (US) 2013-06-27 WO disclosed
US-20130165330-A1 PHOTOACTIVATED CHEMICAL BLEACHING OF DYES GENERAL ELECTRIC COMPANY (US) 2013-06-27 US disclosed