SCHEMBL7914003

SCHEMBL7914003

CCO[Si](CCc1ccc(OC#N)cc1)(OCC)OCC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.32
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL7920307 0.91 TSHR (0.33) ACACBGLAKMT2AMAPT
SCHEMBL7916812 0.83 TAAR1 (0.39) ALDH1A1MAPTTAAR1
SCHEMBL167111 0.82 CYP4F2 (0.37) ACACBGLAKMT2AALDH1A1TAAR1
SCHEMBL7920249 0.82 ACHE (0.36) KMT2ATAAR1
SCHEMBL15672391 0.80 TAAR1 (0.50) GLAKMT2ATAAR1
SCHEMBL27094921 0.77 HRH3 (0.39) KMT2AALDH1A1MAPT
SCHEMBL237570 0.77 THRB (0.44) KMT2AALDH1A1MAPTTAAR1
SCHEMBL4261692 0.76 P2RY6 (0.38) TAAR1
SCHEMBL7917085 0.76 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL7916849 0.76 CYP2D6 (0.43) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217943-B1 ADHESION AND REINFORCEMENT WITH SILANE CYANATE COUPLERS 3M INNOVATIVE PROPERTIES COMPANY 2001-04-17 US disclosed
US-5912377-A CONTAINING AT LEAST ONE CYANATE ESTER GROUP AND HYDROLYZABLE SILYL GROUP; REINFORCED COMPOSITES, ADESIVES, COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-15 US disclosed
EP-0830410-B1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING & MFG (US) 1999-04-07 EP disclosed
EP-0830410-A1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-25 EP disclosed
WO-1996039457-A1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-12 WO disclosed