SCHEMBL672876

SCHEMBL672876

CC1CCC(CN=C=O)C2C3CC(CN=C=O)C(C3)C12

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
SCHEMBL439502 0.94
SCHEMBL1900904 0.82
SCHEMBL1901687 0.82
SCHEMBL11026717 0.76
SCHEMBL8512400 0.70 TSHR (0.32)
SCHEMBL8037145 0.70
SCHEMBL2330759 0.69
SCHEMBL19021594 0.69
SCHEMBL29039916 0.69
SCHEMBL19107425 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669385-B1 Continuous method for manufacturing an acid functional blocked solid isocyanate BAYER MATERIALSCIENCE LLC (US) 2011-05-04 EP claimed
EP-1654306-A4 WATER-BASED POLYURETHANE - POLYETHYLENE COMPOSITIONS VALSPAR SOURCING INC (US) 2008-05-07 EP claimed
US-20070027249-A1 Water-based polyurethane-polyethylene compositions VALSPAR SOURCING, INC. (US) 2007-02-01 US claimed
EP-1654306-A1 WATER-BASED POLYURETHANE - POLYETHYLENE COMPOSITIONS THE VALSPAR CORPORATION (US) 2006-05-10 EP claimed
WO-2005016999-A1 WATER-BASED POLYURETHANE - POLYETHYLENE COMPOSITIONS THE VALSPAR CORPORATION (US) 2005-02-24 WO claimed
US-20240101752-A1 SILICONE URETHANE (METH)ACRYLATES AND THEIR USE IN 3D PRINTING RESINS AND COATING COMPOSITIONS EVONIK OPERATIONS GMBH (DE) 2024-03-28 US disclosed
US-10385240-B2 Acrylate-terminated urethane polybutadienes from low-monomer 1:1 monoadducts from reactive olefinic compounds and diisocyanates and hydroxy-terminated polybutadienes for liquid optically clear adhesives (LOCAs) EVONIK DEGUSSA GMBH (DE) 2019-08-20 US disclosed
EP-2035475-B1 WATER-DISPERSIBLE POLYURETHANE POLYMER SWIMC LLC (US) 2019-06-12 EP disclosed
US-9873760-B2 Water-dispersible polyurethane polymer VALSPAR SOURCING, INC. (US) 2018-01-23 US disclosed
EP-3184568-A1 ACRYLATE-TERMINATED URETHANE POLYBUTADIENES FROM LOW-MONOMER 1:1 MONOADDUCTES FROM REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES AND HYDROXY-TERMINATED POLYBUTADIENES FOR LIQUID OPTICALLY CLEAR ADHESIVES (LOCAS) Evonik Degussa GmbH (DE) 2017-06-28 EP disclosed
US-20170174956-A1 Acrylate-Terminated Urethane Polybutadienes From Low-Monomer 1:1 Monoadducts From Reactive Olefinic Compounds and Diisocyanates and Hydroxy-Terminated Polybutadienes for Liquid Optically Clear Adhesives (LOCAs) EVONIK OPERATIONS GMBH (DE) 2017-06-22 US disclosed
US-20170174819-A1 ACRYLATE-TERMINATED URETHANE POLYBUTADIENES FORMED FROM LOW-MONOMER 1:1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES AND HYDROXY-TERMINATED POLYBUTADIENES EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
EP-2035475-A2 WATER-DISPERSIBLE POLYURETHANE POLYMER Valspar Sourcing, Inc. (US) 2009-03-18 EP disclosed
EP-1654306-A4 WATER-BASED POLYURETHANE - POLYETHYLENE COMPOSITIONS VALSPAR SOURCING INC (US) 2008-05-07 EP disclosed
US-20080009601-A1 Water-dispersible polyurethane polymer VALSPAR SOURCING, INC. (US) 2008-01-10 US disclosed
WO-2008005483-A2 WATER-DISPERSIBLE POLYURETHANE POLYMER VALSPAR SOURCING, INC. (US) 2008-01-10 WO disclosed
US-20070027249-A1 Water-based polyurethane-polyethylene compositions VALSPAR SOURCING, INC. (US) 2007-02-01 US disclosed
EP-1654306-A1 WATER-BASED POLYURETHANE - POLYETHYLENE COMPOSITIONS THE VALSPAR CORPORATION (US) 2006-05-10 EP disclosed
WO-2005016999-A1 WATER-BASED POLYURETHANE - POLYETHYLENE COMPOSITIONS THE VALSPAR CORPORATION (US) 2005-02-24 WO disclosed
EP-0571187-A1 Aqueous surface coating composition Nippon Paint Co., Ltd. (JP) 1993-11-24 EP disclosed