SCHEMBL16979565

SCHEMBL16979565

CC1CC(C)(C)CC(C)(Cn2c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c(=O)n(CC3(C)CC(OC#N)CC(C)(C)C3)c2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL47877 0.95 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL10036690 0.95 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL10036698 0.89
SCHEMBL14198784 0.88 ALDH1A1 (0.57) ALDH1A1CYP3A4
SCHEMBL19057011 0.84 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL20437582 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4
SCHEMBL53382 0.82 ALDH1A1 (0.64) ALDH1A1CYP3A4
SCHEMBL12700243 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL21300083 0.78
SCHEMBL19784235 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834546-B2 Polyurethane-based composition BOSTIK SA (FR) 2023-12-05 US disclosed
US-11708515-B2 Adhesive dual-component composition based on polyurethane BOSTIK SA (FR) 2023-07-25 US disclosed
US-9738755-B2 Molding polyamides, methods for the production thereof, and use thereof LANXESS DEUTSCHLAND GMBH (DE) 2017-08-22 US disclosed
US-9428611-B2 Catalysts for producing cast polyamide, method for the production of said catalysts and the use thereof RHEIN CHEMIE RHEINAU GMBH (DE) 2016-08-30 US disclosed
US-20150322204-A1 CATALYSTS FOR PRODUCING CAST POLYAMIDE, METHOD FOR THE PRODUCTION OF SAID CATALYSTS AND THE USE THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2015-11-12 US disclosed
US-20150218314-A1 MOLDING POLYAMIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF RHEIN CHEMIE RHEINAU GMBH (DE) 2015-08-06 US disclosed