SCHEMBL3261716

SCHEMBL3261716

C=C(COCC(=C)N(C)C)N(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
SCHEMBL12809680 0.80
SCHEMBL12766613 0.79
SCHEMBL7155920 0.73 CHRNB2 (0.38)
SCHEMBL7158953 0.68 TSHR (0.47)
SCHEMBL11131946 0.67
SCHEMBL8054697 0.67
SCHEMBL1454556 0.67
SCHEMBL20822078 0.65
SCHEMBL9267422 0.65
SCHEMBL25759237 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4492803-A REACTION OF THE BISMETHOHALIDE WITH AN ALIPHATIC AMINE TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-01-08 US claimed
EP-0104641-A1 Method for producing bis(beta-(N,N-dimethylamino)alkyl)ether TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-04-04 EP claimed
US-4049931-A Catalyst systems containing dimethylamino ether mono-ols for polyurethane foam formation UNION CARBIDE CORPORATION (US) 1977-09-20 US claimed
US-11248081-B2 Hydrocarbon blown polyurethane foam formulation giving desirable thermal insulation properties HUNTSMAN PETROCHEMICAL LLC (US) 2022-02-15 US disclosed
US-10428170-B1 Hydrocarbon blown polyurethane foam formulation giving desirable thermal insulation properties HUNTSMAN INTERNATIONAL LLC (US) 2019-10-01 US disclosed
US-8563676-B2 Reactive amine catalysts for polyurethane foam HUNTSMAN PETROCHEMICAL LLC (US) 2013-10-22 US disclosed
US-20100179297-A1 REACTIVE AMINE CATALYSTS FOR POLYURETHANE FOAM HUNTSMAN PETRICHEMICAL LLC (US) 2010-07-15 US disclosed
EP-2162480-A1 REACTIVE AMINE CATALYSTS FOR POLYURETHANE FOAM Huntsman Petrochemical LLC (US) 2010-03-17 EP disclosed
WO-2008157153-A1 REACTIVE AMINE CATALYSTS FOR POLYURETHANE FOAM HUNTSMAN PETROCHEMICAL CORPORATION (US) 2008-12-24 WO disclosed
US-6051527-A CATALYST AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-04-18 US disclosed
EP-0765892-B1 Aminopropylbis(aminoethyl)ether compositions for the production of polyurethanes AIR PROD & CHEM (US) 2000-04-12 EP disclosed
US-4049675-A SURFACTANTS, FOAM-STABILIZING COMPONENTS FOR POLYURETHANES UNION CARBIDE CORPORATION (US) 1977-09-20 US disclosed
US-4039490-A TERTIARY ALCOHOL SILOXANE, POLYURETHANES UNION CARBIDE CORPORATION (US) 1977-08-02 US disclosed
US-4038210-A BETA-AMINO NITRILE CATALYSTS FOR POLYURETHANE PREPARATION UNION CARBIDE CORPORATION (US) 1977-07-26 US disclosed
US-4038210-A BETA-AMINO NITRILE CATALYSTS FOR POLYURETHANE PREPARATION UNION CARBIDE CORPORATION (US) 1977-07-26 US disclosed
US-4033911-A Process for catalyzing polyurethane foam formation using N,N-dimethyl-aminoalkoxy-propionitriles UNION CARBIDE CORPORATION (US) 1977-07-05 US disclosed
US-4016163-A SURFACTANTS UNION CARBIDE CORPORATION (US) 1977-04-05 US disclosed
US-4012445-A Beta-amino carbonyl catalysts for polyurethane preparation UNION CARBIDE CORPORATION (US) 1977-03-15 US disclosed
US-4011223-A POLYMERIZATION CATALYSTS, POLYURETHANES UNION CARBIDE CORPORATION (US) 1977-03-08 US disclosed
US-3954749-A MORPHOLINE DERIVATIVES OF AMIDES UNION CARBIDE CORPORATION (US) 1976-05-04 US disclosed