SCHEMBL690736

SCHEMBL690736

CCC1CC(CC2CC(C(C)C)C(N)C(C(C)C)C2)CC(CC)C1N

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
SCHEMBL10776864 0.91
SCHEMBL9065778 0.86 MEN1 (0.33)
SCHEMBL464976 0.84
SCHEMBL10456956 0.77
SCHEMBL10510107 0.76 MEN1 (0.31)
SCHEMBL14236789 0.75
SCHEMBL10455890 0.75
SCHEMBL9065405 0.75
SCHEMBL10457027 0.74
SCHEMBL10509090 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013083511-A1 TCD ALCOHOL-BASED THERMOPLASTIC POLYURETHANE UREA POLYMERS, AND THE USE OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 WO claimed
WO-2010066686-A2 NOVEL TRIAZINE POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BOREALIS AGROLINZ MELAMINE GMBH (AT) 2010-06-17 WO claimed
EP-4257625-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS Covestro LLC (US) 2023-10-11 EP disclosed
US-20230303757-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS COVESTRO LLC 2023-09-28 US disclosed
EP-2804735-B1 METHOD FOR APPLYING A FOAMING REACTION MIXTURE COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-02-08 EP disclosed
EP-3649171-B1 ARTICLE COMPRISING EXPANDED TPU AND A COATING COVESTRO DEUTSCHLAND AG (DE) 2021-02-24 EP disclosed
US-10927274-B2 Article comprising expanded TPU and a water based coating COVESTRO DEUTSCHLAND AG (DE) 2021-02-23 US disclosed
US-20200392370-A1 ARTICLE COMPRISING EXPANDED TPU AND A WATER BASED COATING COVESTRO DEUTSCHLAND AG (DE) 2020-12-17 US disclosed
US-10787765-B2 Low-solvent coating systems for textiles Covestro Deutschalnd AG (DE) 2020-09-29 US disclosed
EP-2804736-B1 DEVICE FOR APPLYING A FOAMING REACTION MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2020-07-08 EP disclosed
US-20200115489-A1 ARTICLE COMPRISING EXPANDED TPU AND A COATING COVESTRO DEUTSCHLAND AG (DE) 2020-04-16 US disclosed
US-4546165-A Process for the production of stabilized polyisocyanates of retarded reactivity and their use in the production of polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1985-10-08 US disclosed
EP-0153579-A2 Use of thermosetting polyurethane urea reactive masses of adhesives BAYER AG (DE) 1985-09-04 EP disclosed
EP-0150803-A2 PVC-plastisols for coating applications containing adhesion improving additives and their use BAYER AG (DE) 1985-08-07 EP disclosed
EP-0078436-B1 NON-CRYSTALLINE POLYAMINE/CARBONIC-ACID SALT COMPOSTIONS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MAKING POLYURETHANE-POLYUREAS, PARTICULARLY FOAMED COATINGS BAYER AG (DE) 1985-01-30 EP disclosed
US-4483974-A POLYMERIZATION INHIGITION BY BLOCKING WITH AMINE, HYDRAZINE, OR HYDRAZIDE BAYER AKTIENGESELLSCHAFT (DE) 1984-11-20 US disclosed
US-4469856-A Non-crystalline polyamine/carbonic acid salt compositions, a process for their preparation and their use for the production of polyurethane ureas, especially foamed coatings BAYER AKTIENGESELLSCHAFT (DE) 1984-09-04 US disclosed
EP-0103323-A2 Process for the preparation of stabilized polyisocyanates, stabilized polyisocyanates having retarded reactivity and their use in the preparation of polyurethanes BAYER AG (DE) 1984-03-21 EP disclosed
EP-0078436-A1 Non-crystalline polyamine/carbonic-acid salt compostions, process for their preparation and their use in making polyurethane-polyureas, particularly foamed coatings BAYER AG (DE) 1983-05-11 EP disclosed
EP-0073389-A1 Coating and finishing agent for leather, and leather substitute based on a polyurethane-polyurea coating composition BAYER AG (DE) 1983-03-09 EP disclosed