SCHEMBL539189

SCHEMBL539189

CC1CC(CC2CC(C)C(N=C=O)C(C)C2)CC(C)C1N=C=O

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
SCHEMBL9736579 0.88 ALDH1A1 (0.38)
SCHEMBL692532 0.85
SCHEMBL11134104 0.82
SCHEMBL8007242 0.79 ALDH1A1 (0.32)
SCHEMBL8007238 0.79 ALDH1A1 (0.32)
SCHEMBL7677482 0.77 ALDH1A1 (0.41)
SCHEMBL9736351 0.77 ALDH1A1 (0.33)
SCHEMBL10822980 0.75
SCHEMBL11426532 0.74 ALDH1A1 (0.40)
SCHEMBL130892 0.74 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11965056-B2 Drying agent for moisture-curing compositions COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-04-23 US claimed
EP-3129353-B1 METHOD FOR MANUFACTURING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2024-02-28 EP claimed
US-20210317253-A1 DRYING AGENT FOR MOISTURE-CURING COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2021-10-14 US claimed
US-20210309793-A1 DRYING AGENT FOR MOISTURE-CURING COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2021-10-07 US claimed
EP-3613786-A1 DRYING AGENT FOR MOISTURE-CURABLE COMPOSITIONS Covestro Deutschland AG (DE) 2020-02-26 EP claimed
EP-3613785-A1 DRYING AGENT FOR MOISTURE-CURABLE COMPOSITIONS Covestro Deutschland AG (DE) 2020-02-26 EP claimed
EP-2700665-B1 Method for trimerization of cycloaliphatic diisocyanates COVESTRO DEUTSCHLAND AG (DE) 2018-12-05 EP claimed
US-20160251472-A1 POLYFUNCTIONAL URETHANE (METH)ACRYLATES COMPRISING LOW-MONOMER-CONTENT DIISOCYANATE MONOADDUCTS EVONIK DEGUSSA GMBH (DE) 2016-09-01 US claimed
EP-3055339-A1 POLYFUNCTIONAL URETHANE(METH)ACRYLATES CONSISTING OF LOW-MONOMER DIISOCYANATE MONOADDUCTS Evonik Degussa GmbH (DE) 2016-08-17 EP claimed
WO-2015052038-A1 POLYFUNCTIONAL URETHANE(METH)ACRYLATES CONSISTING OF LOW-MONOMER DIISOCYANATE MONOADDUCTS EVONIK INDUSTRIES AG (DE) 2015-04-16 WO claimed
US-8841479-B2 Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors EVONIK DEGUSSA GMBH (DE) 2014-09-23 US claimed
EP-2367864-B1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2012-10-03 EP claimed
US-20110251424-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2011-10-13 US claimed
EP-1136495-B1 1:1 monoadducts of aminoalkylalkoxysilanes and diisocyanates, their preparation and use DEGUSSA (DE) 2006-06-28 EP claimed
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed
US-20240239946-A1 PHOTO- AND THERMALLY CURABLE RESIN USEFUL FOR ADDITIVE MANUFACTURING STRATASYS, INC. (US) 2024-07-18 US disclosed
EP-4013806-B1 METHOD FOR DEGRADING POLYETHER POLYURETHANE COVESTRO DEUTSCHLAND AG (DE) 2024-06-26 EP disclosed
US-4136092-A SUBSTITUTED DI- OR TRIAMINO-S-TRIAZINES THIOKOL CORPORATION (US) 1979-01-23 US disclosed
US-4110135-A CURED HYDROXY TERMINATED POLYBUTADIENE BASED POLYURETHANE BOUND GRAIN THIOKOL CORPORATION (US) 1978-08-29 US disclosed
US-4072712-A FROM ISOCYANATES, CATALYSIS BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed