SCHEMBL1542359

SCHEMBL1542359

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

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.91
CYP3A4 P08684 1/20 0.91

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
SCHEMBL5493501 1.00 ALDH1A1 (0.91) ALDH1A1CYP3A4
Methane SCHEMBL10716152 0.98 ALDH1A1 (0.88) ALDH1A1CYP3A4
Cyclohexane SCHEMBL21812169 0.97 ALDH1A1 (0.86) ALDH1A1CYP3A4
SCHEMBL30393565 0.95 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL6836764 0.95 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL5610404 0.95 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL29932997 0.95 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL2821152 0.95 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL15846 0.95 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL28910450 0.95 ALDH1A1 (1.00) 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103634-A1 SILANE GROUP-CONTAINING BRANCHED POLYMER Sika Technology AG (CH) 2022-12-21 EP claimed
WO-2021160493-A1 SILANE GROUP-CONTAINING BRANCHED POLYMER SIKA TECHNOLOGY AG (CH) 2021-08-19 WO claimed
CN-105837778-A A preparing method of a shape-memory polymer cured through radiation 常州大学 2016-08-10 CN claimed
EP-1229016-B1 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour DEGUSSA (DE) 2006-01-11 EP claimed
EP-1085030-B1 Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring DEGUSSA (DE) 2005-05-18 EP claimed
EP-1229016-A2 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour Degussa AG (DE) 2002-08-07 EP claimed
EP-1085030-A2 Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring Degussa-Hüls Aktiengesellschaft (DE) 2001-03-21 EP claimed
US-6013739-A COATING COMPOSITION FOR PRODUCING A MULTICOAT FINISH, COMPRISING A BINDER CONSISTING OF A HYDROXYL GROUP-CONTAINING POLYACRYLATE RESIN AND AS CROSSLINKING AGENT A MIXTURE OF POLYISOCYANATES HAVING SPECIFIC URETDIONE GROUP CONTENT BASF COATINGS AG (DE) 2000-01-11 US claimed
CN-113968789-B Purification method and purification system of isophorone diamine 山东新和成维生素有限公司 2024-04-30 CN disclosed
CN-117069593-A Method for producing 3-aminomethyl-3, 5-trimethylcyclohexylamine 万华化学集团股份有限公司 2023-11-17 CN disclosed
CN-113968789-A Method and system for purifying isophorone diamine 山东新和成维生素有限公司 2022-01-25 CN disclosed
CN-107709393-B Reaction products containing urethane and urea groups 毕克化学有限公司 2020-11-06 CN disclosed
CN-110191987-A Tablet 东丽株式会社 2019-08-30 CN disclosed
CN-110054921-A Photo-thermal curing coating composition, coating film-forming methods and method of hydraulic transfer 欧利生电气株式会社 2019-07-26 CN disclosed
US-4624996-A Heat curable one package polyurethane resin composition ESSEX SPECIALTY PRODUCTS, INC. (US) 1986-11-25 US disclosed
US-4625012-A Moisture curable polyurethane polymers ESSEX SPECIALTY PRODUCTS, INC. (US) 1986-11-25 US disclosed
EP-0070475-B1 METHOD OF MAKING A MOISTURE-CURABLE SILICON TERMINATED POLYMER Essex Chemical Corporation (US) 1986-10-22 EP disclosed
EP-0153135-A2 Heat curable one package polyurethane resin composition ESSEX SPECIALTY PRODUCTS, INC. (US) 1985-08-28 EP disclosed
EP-0070475-A2 Method of making a moisture-curable silicon terminated polymer Essex Chemical Corporation (US) 1983-01-26 EP disclosed
US-4345053-A Silicon-terminated polyurethane polymer ESSEX CHEMICAL CORP. (US) 1982-08-17 US disclosed