SCHEMBL546439

SCHEMBL546439

CC(Cl)CN=C=O

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
SCHEMBL11093754 0.81
SCHEMBL11340173 0.79
SCHEMBL540894 0.77
SCHEMBL2780467 0.77 TRPA1 (0.33)
SCHEMBL7553235 0.77 TRPA1 (0.33)
SCHEMBL660786 0.77
SCHEMBL11196499 0.77
SCHEMBL4655872 0.77
SCHEMBL482511 0.74
SCHEMBL9559098 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104130247-B Human T 2 R bitterness receptors and application thereof 塞诺米克斯公司 2018-06-01 CN disclosed
US-20170145136-A1 RESIN COMPOSITION FOR GOLF BALL AND GOLF BALL DUNLOP SPORTS CO. LTD. (JP) 2017-05-25 US disclosed
US-9598522-B2 Resin composition for golf ball and golf ball DUNLOP SPORTS CO. LTD. (JP) 2017-03-21 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-9247759-B2 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2016-02-02 US disclosed
US-20150183916-A1 RESIN COMPOSITION FOR GOLF BALL AND GOLF BALL DUNLOP SPORTS CO. LTD. (JP) 2015-07-02 US disclosed
CN-104130247-A Human T2R bitter taste receptors and the use thereof SENOMYX INC 2014-11-05 CN disclosed
US-20130345222-A1 IDENTIFICATION OF HUMAN T2R RECEPTORS THAT RESPOND TO BITTER COMPOUNDS THAT ELICIT THE BITTER TASTE IN COMPOSITIONS, AND THE USE THEREOF IN ASSAYS TO IDENTIFY COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITIONS AND USE THEREOF FIRMENICH INCORPORATED 2013-12-26 US disclosed
US-20130183252-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND METHODS OF MAKING SAME SENOMYX, INC. (US) 2013-07-18 US disclosed
US-8445692-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX INC. (US) 2013-05-21 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
CN-1898218-A 1-(azolin-2-yl)amino-1,2-diphenylethane compounds for combatting insects, arachnids and nematodes BASF AG (DE) 2007-01-17 CN disclosed
EP-1713786-A1 1-(AZOLIN-2-YL) AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATTING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 2006-10-25 EP disclosed
WO-2005063724-A1 1-(AZOLIN-2-YL) AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATTING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO disclosed
EP-0433806-B1 Isocyanatoalkylsulfonates and process for their preparation BAYER AG (DE) 1994-06-22 EP disclosed
US-5196531-A Poly(N-cyclic iminoether), process for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1993-03-23 US disclosed
US-5110975-A ISOCYANATOALKYL SULPHONATES AND A PROCESS FOR THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed
EP-0433806-A2 Isocyanatoalkylsulfonates and process for their preparation BAYER AG (DE) 1991-06-26 EP disclosed
EP-0351814-A2 Poly (N-cyclic iminoether), processes for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1990-01-24 EP disclosed
US-4315019-A Novel aryltrifluoroethylamines and processes for producing the same SCIENCE UNION ET CIE (FR) 1982-02-09 US disclosed