SCHEMBL301576

SCHEMBL301576

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

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL2221398 0.82 ALDH1A1 (0.49) ALDH1A1CYP3A4
SCHEMBL5569364 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL27616901 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL5616651 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL27540672 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL20421233 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL10587709 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL28786176 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL2342993 0.78
SCHEMBL374602 0.78 ALDH1A1 (0.53) 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 318 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220145496-A1 A process for producing a thermoplastic polyurethane fiber with low shrinkage, and the use of the fiber BASF SE (DE) 2022-05-12 US claimed
CN-113474495-A Method for producing thermoplastic polyurethane fibers with low shrinkage and use of the fibers 巴斯夫欧洲公司 2021-10-01 CN claimed
WO-2018236656-A1 COATINGS WITH FAST RETURN TO SERVICE COVESTRO LLC (US) 2018-12-27 WO claimed
US-20180362801-A1 COATINGS WITH FAST RETURN TO SERVICE COVESTRO LLC 2018-12-20 US claimed
US-9371504-B2 Use of acrylate copolymers as soil antiredeposition agents and soil release agents in laundry processes BASF SE (DE) 2016-06-21 US claimed
US-9091163-B2 Insensitive explosive composition and method of fracturing rock using an extrudable form of the composition LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-07-28 US claimed
US-20140287974-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2014-09-25 US claimed
US-20130341031-A1 INSENSITIVE EXPLOSIVE COMPOSITION AND METHOD OF FRACTURING ROCK USING AN EXTRUDABLE FORM OF THE COMPOSITION LOS ALAMOS NATIONAL SECURITY, LLC (US) 2013-12-26 US claimed
US-8575074-B2 Insensitive explosive composition and method of fracturing rock using an extrudable form of the composition LOS ALAMOS NATIONAL SECURITY, LLC (US) 2013-11-05 US claimed
US-20120305252-A1 INSENSITIVE EXPLOSIVE COMPOSITION AND METHOD OF FRACTURING ROCK USING AN EXTRUDABLE FORM OF THE COMPOSITION LOS ALAMOS NATIONAL SECURITY, LLC. (US) 2012-12-06 US claimed
US-20050164008-A1 Urethane polyol precursors for coating compositions PPG INDUSTRIES OHIO, INC. 2005-07-28 US claimed
EP-0694532-B1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA SC HOLDING AG (CH) 2000-05-31 EP claimed
US-5708119-A POLYURETHANES FOR WATERPROOFING AND OIL REPELLENTS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-13 US claimed
US-5663273-A APPLYING TO IMPART OIL AND WATER REPELLENCY CIBA-GEIGY CORPORATION (US) 1997-09-02 US claimed
EP-0694532-A1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA-GEIGY AG (CH) 1996-01-31 EP claimed
EP-0690039-A2 Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof CIBA-GEIGY AG (CH) 1996-01-03 EP claimed
EP-0402212-B1 Process for the fabrication of a self-healing polyurethane film and obtained product SAINT GOBAIN VITRAGE (FR) 1994-08-10 EP claimed
US-5091214-A Trimerization, then polymerization SAINT-GOBAIN VITRAGE INTERNATIONAL (FR) 1992-02-25 US claimed
EP-0025992-A2 Process for coating glass surfaces CHEMISCHE WERKE HÜLS AG (DE) 1981-04-01 EP claimed
US-4238592-A Method for production of duroplastic, single-component polyurethanes CHEMISCHE WERKE HULS AG (DE) 1980-12-09 US claimed