SCHEMBL104096

SCHEMBL104096

CCC(C)CNC(C)C

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
SCHEMBL12703451 1.00
SCHEMBL9407492 0.83 ADRB2 (0.36)
SCHEMBL25688199 0.82 LMNA (0.35)
SCHEMBL20385233 0.79 ALDH1A1 (0.35)
SCHEMBL7775265 0.79 ALDH1A1 (0.35)
SCHEMBL7775202 0.79 LMNA (0.36)
SCHEMBL23665184 0.78 ADRB2 (0.33)
SCHEMBL24300159 0.77
SCHEMBL23902065 0.77 TSHR (0.43)
SCHEMBL22668884 0.77

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533902-B Composition comprising a nitroxide inhibitor, a quinone methide blocker and an amine stabilizer to inhibit polymerization of monomers 埃科莱布美国股份有限公司 2025-03-14 CN disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11180578-B2 Polymerization inhibitor and retarder compositions with amine stabilizer ECOLAB USA INC. (US) 2021-11-23 US disclosed
EP-3820846-A1 COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER Ecolab USA, Inc. (US) 2021-05-19 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
EP-2085454-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2011-08-10 EP disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
EP-2085454-A1 Liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2009-08-05 EP disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 US disclosed
EP-1605758-A1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AKTIENGESELLSCHAFT (DE) 2005-12-21 EP disclosed
WO-2004080183-A1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed