SCHEMBL2792302

SCHEMBL2792302

CC1(C)CC(N=C=O)CC(C)(C(N=C=O)N=C=O)C1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL5610380 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4
SCHEMBL2337511 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4
SCHEMBL12019112 0.80 ALDH1A1 (0.65) ALDH1A1CYP3A4
SCHEMBL3197954 0.74 ALDH1A1 (0.59) ALDH1A1CYP3A4
SCHEMBL14277128 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL14198783 0.70 ALDH1A1 (0.73) ALDH1A1CYP3A4
SCHEMBL264479 0.70 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL10816125 0.70 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL23553043 0.70 ALDH1A1 (0.67) ALDH1A1CYP3A4
SCHEMBL28770436 0.70 ALDH1A1 (0.57) ALDH1A1CYP3A4

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981032-B2 Composition containing a modified (poly) isocyanate and a solvent of the acetal or aliphatic ketone type, and use of said composition for producing coatings VENCOREX FRANCE (FR) 2015-03-17 US claimed
US-8389613-B2 Aqueous emulsions comprising polyisocyanate/acetal solvent compositions and coatings/adhesives produced therefrom VENCOREX FRANCE (FR) 2013-03-05 US claimed
US-8188171-B2 Polyisocyanate composition having improved impact-proof properties RHODIA CHIMIE (FR) 2012-05-29 US claimed
US-20100137507-A1 Composition Containing A Modified (Poly) Isocyanate And A Solvent Of The Acetal Or Aliphatic Ketone Type, And Use Of Said Composition For Producing Coatings PERSTORP FRANCE (FR) 2010-06-03 US claimed
EP-1999173-B1 MIXTURE BASED ON POLYISOCYANATE AND AN ACETAL SOLVENT, AQUEOUS EMULSION OBTAINED FROM THIS MIXTURE, AND USE OF THIS EMULSION FOR PRODUCING COATINGS AND ADHESIVES RHODIA OPERATIONS (FR) 2010-02-17 EP claimed
EP-2046904-A1 POLYISOCYANATE COMPOSITION WITH IMPROVED ANTI-SHOCK PROPERTIES Rhodia Opérations (FR) 2009-04-15 EP claimed
EP-1999173-A1 MIXTURE BASED ON POLYISOCYANATE AND AN ACETAL SOLVENT, AQUEOUS EMULSION OBTAINED FROM THIS MIXTURE, AND USE OF THIS EMULSION FOR PRODUCING COATINGS AND ADHESIVES Rhodia Opérations (FR) 2008-12-10 EP claimed
US-20080044578-A1 Polyisocyanate Composition Having Improved Impact-Proof Properties RHODIA CHIMIE (FR) 2008-02-21 US claimed
WO-2007122309-A1 POLYISOCYANATE COMPOSITION WITH IMPROVED ANTI-SHOCK PROPERTIES RHODIA RECHERCHES ET TECHNOLOGIES (FR) 2007-11-01 WO claimed
WO-2007110425-A1 MIXTURE BASED ON POLYISOCYANATE AND AN ACETAL SOLVENT, AQUEOUS EMULSION OBTAINED FROM THIS MIXTURE, AND USE OF THIS EMULSION FOR PRODUCING COATINGS AND ADHESIVES RHODIA OPERATIONS (FR) 2007-10-04 WO claimed
EP-1833935-A1 POLYISOCYANATE COMPOSITION HAVING IMPROVED IMPACT-PROOF PROPERTIES RHODIA CHIMIE (FR) 2007-09-19 EP claimed
WO-2006067326-A1 POLYISOCYANATE COMPOSITION HAVING IMPROVED IMPACT-PROOF PROPERTIES RHODIA CHIMIE (FR) 2006-06-29 WO claimed
EP-1468030-A4 POLYURETHANE COATING COMPOSITIONS RHODIA (US) 2005-08-10 EP claimed
EP-1468030-A1 POLYURETHANE COATING COMPOSITIONS RHODIA INC. (US) 2004-10-20 EP claimed
US-20030158327-A1 Polyurethane coating compositions RHODIA INC. 2003-08-21 US claimed
WO-2003062294-A1 POLYURETHANE COATING COMPOSITIONS RHODIA INC. (US) 2003-07-31 WO claimed
US-10647801-B2 Multi-base material adaptivity pulling removal type binder product, binder composition and assembly 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-05-12 US disclosed
EP-2144943-B1 MIXTURE BASED ON A POLYISOCYANATE AND A SOLVENT OF ETHER ESTER TYPE, AQUEOUS EMULSION OBTAINED FROM THIS MIXTURE AND USE OF THIS EMULSION FOR THE MANUFACTURE OF COATINGS AND ADHESIVES VENCOREX FRANCE (FR) 2019-10-30 EP disclosed
WO-1999010402-A1 METHOD FOR MASKING POLYISOCYANATES IN EMULSION RHODIA CHIMIE (FR) 1999-03-04 WO disclosed
WO-1999007765-A1 METHOD FOR PREPARING (POLY)ISOCYANATE COMPOSITION WITH REDUCED VISCOSITY RHODIA CHIMIE (FR) 1999-02-18 WO disclosed