SCHEMBL6920168

SCHEMBL6920168

Cc1c(N=C=O)cc(C(C)(C)C)c(C)c1N=C=O.O=C=NCCCCCCN=C=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 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
SCHEMBL38512 0.87 CYP3A4 (0.41) CYP3A4
SCHEMBL1483790 0.75 CYP3A4 (0.41) CYP3A4
SCHEMBL751511 0.74 CYP3A4 (0.36) CYP3A4
SCHEMBL3679998 0.72 CYP3A4 (0.52) CYP3A4
SCHEMBL719741 0.70 CYP3A4 (0.69) CYP3A4
SCHEMBL9863186 0.68 CYP3A4 (0.49) CYP3A4
SCHEMBL9863163 0.68 CYP3A4 (0.50) CYP3A4
SCHEMBL9268593 0.68 CYP3A4 (0.65) CYP3A4
SCHEMBL2341640 0.67 CYP3A4 (0.47) CYP3A4
SCHEMBL10817621 0.67 CYP3A4 (0.38) CYP3A4

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
EP-1155093-B1 POLYURETHANE SEALANT COMPOSITIONS ESSEX SPECIALTY PROD (US) 2004-04-21 EP disclosed
US-6512033-B1 A urethane prepolymer having an isocyante functionality weight average molecular weight of at a catalytic amount of a tin compound which catalyzes the reaction of isocyanate moieties with water or an active a stabilizing amount of an ESSEX SPECIALTY PRODUCTS INC. 2003-01-28 US disclosed
US-6153709-A Chip resistant, vibration damping coatings for vehicles ESSEX SPECIALTY PRODUCTS, INC. (US) 2000-11-28 US disclosed
EP-1042421-A1 PRIMERLESS ADHESIVE FOR A PAINTED SURFACE ESSEX SPECIALTY PRODUCTS, INC. (US) 2000-10-11 EP disclosed
WO-1999033930-A1 PRIMERLESS ADHESIVE FOR A PAINTED SURFACE ESSEX SPECIALTY PRODUCTS, INC. (US) 1999-07-08 WO disclosed