SCHEMBL502919

SCHEMBL502919

CC1CC(CCCC(N=C=O)N=C=O)CC(C)(C)C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1695981 0.93
SCHEMBL3314744 0.83
SCHEMBL1719642 0.74 ALDH1A1 (0.35)
SCHEMBL27685051 0.73
SCHEMBL11374368 0.72 CYP1A2 (0.39)
SCHEMBL10592059 0.71 ALDH1A1 (0.33)
SCHEMBL9636479 0.71 ALDH1A1 (0.32)
SCHEMBL10425199 0.70 ALDH1A1 (0.37)
SCHEMBL463033 0.69 ALDH1A1 (0.31)
SCHEMBL27551067 0.69 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034628-A1 BRANCHED POLYOLS CONTAINING ON AVERAGE TWO OR MORE HYDROXYL GROUPS PER MOLECULE,THEIR PREPARATION AND USE BASF COATINGS AG (DE) 2011-02-10 US claimed
EP-2027174-A1 BRANCHED POLYOLS HAVING A STATISTICAL AVERAGE OF TWO OR MORE HYDROXYL GROUPS IN THE MOLECULE, PROCESS FOR THEIR PREPARATION AND USE THEREOF BASF Coatings AG (DE) 2009-02-25 EP claimed
WO-2007131674-A1 BRANCHED POLYOLS HAVING A STATISTICAL AVERAGE OF TWO OR MORE HYDROXYL GROUPS IN THE MOLECULE, PROCESS FOR THEIR PREPARATION AND USE THEREOF BASF COATINGS AG (DE) 2007-11-22 WO claimed
EP-1440101-B1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2007-01-31 EP claimed
US-6930161-B2 Polyurethane, method for production and use thereof BASF COATINGS AG (DE) 2005-08-16 US claimed
JP-2005504157-A 2005-02-10 JP claimed
US-20040198941-A1 Polyurethane, method for production and use thereof BASF COATINGS AKTIENGESELLSCHAFT (DE) 2004-10-07 US claimed
EP-1440101-A1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF Coatings AG (DE) 2004-07-28 EP claimed
WO-2003029319-A1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2003-04-10 WO claimed
EP-4486812-B1 POLYESTER-POLYURETHANE-POLY(METH)ACRYLIC HYBRID DISPERSION BASF COATINGS GMBH (DE) 2026-02-18 EP disclosed
US-20250154309-A1 POLYESTER-POLYURETHANE-POLY(METH)ACRYLIC HYBRID DISPERSION BASF COATINGS GMBH (DE) 2025-05-15 US disclosed
WO-2025030073-A1 A VERSATILE TWO-COMPONENT POLYURETHANE RESIN AND COATINGS FORMED THEREFROM SWIMC LLC (US) 2025-02-06 WO disclosed
WO-2024127252-A1 CYCLIC IMIDES AND ADHESIVE COMPOSITIONS INCLUDING THEM 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-06-20 WO disclosed
EP-3156228-B1 POLYMER HAVING UNSATURATED CYCLOALIPHATIC FUNCTIONALITY AND COATING COMPOSITIONS FORMED THEREFROM SWIMC LLC (US) 2023-11-29 EP disclosed
WO-2001025307-A1 POLYURETHANES AND GRAFT MIXED POLYMERS BASED ON POLYURETHANE AND THEIR USE FOR PRODUCING COATING MATERIALS, ADHESIVES AND SEALING MASSES BASF COATINGS AG (DE) 2001-04-12 WO disclosed
WO-2001012696-A1 OLIGOMERS AND POLYMERS ON THE BASIS OF DIETHYL-OCTANEDIOLS, METHOD FOR PRODUCING SAME AND THE USE THEREOF BASF COATINGS AG (DE) 2001-02-22 WO disclosed
WO-2001004222-A1 AQUEOUS COATING SUBSTANCE, METHOD FOR ITS PRODUCTION AND ITS USE BASF COATINGS AG (DE) 2001-01-18 WO disclosed
WO-2000059978-A1 AQUEOUS COATING MATERIAL THAT IS CURED THERMALLY AND/OR BY ACTINIC RADIATION, AND ITS USE BASF COATINGS AG (DE) 2000-10-12 WO disclosed
WO-2000053651-A1 POLYURETHANE AND ITS USE FOR PRODUCING SOLVENT-FREE COATING SUBSTANCES BASF COATINGS AG (DE) 2000-09-14 WO disclosed
WO-2000050487-A1 POLYCONDENSATION RESINS AND POLYADDITION RESINS PRODUCED BY HETEROGENEOUS CATALYSIS BASF COATINGS AG (DE) 2000-08-31 WO disclosed