SCHEMBL444508

SCHEMBL444508

COC(=C(C#N)C#N)C(C)(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
SCHEMBL1437488 0.65 ALDH1A1 (0.31)
SCHEMBL11940286 0.63
SCHEMBL9901551 0.63 TDP1 (0.35)
SCHEMBL13265988 0.63
SCHEMBL444510 0.63 TDP1 (0.35)
SCHEMBL1716681 0.63
SCHEMBL15669534 0.61
SCHEMBL444507 0.61 KMT2A (0.36)
SCHEMBL9013075 0.61 ALDH1A1 (0.30)
SCHEMBL8765129 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206137-B2 N-Aryl pyrazole(thio)carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9000190-B2 Amide compound or salt thereof, biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2015-04-07 US disclosed
EP-2077260-B1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM FORMATION INHIBITOR, BIOFILM REMOVER AND BACTERICIDE EACH USING THE AMIDE COMPOUND OR SALT THEREOF UNIV TOKYO (JP) 2015-02-18 EP disclosed
US-20150018564-A1 AMIDE COMPOUND OR SALT THEREOF, BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME UNIVERSITY OF TOKYO (JP) 2015-01-15 US disclosed
US-8748617-B2 Amide compound or salt thereof, and biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2014-06-10 US disclosed
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-12 US disclosed
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8436210-B2 Amide compound and bacterial disease control agent for agricultural and horticultural use THE UNIVERSITY OF TOKYO (JP) 2013-05-07 US disclosed
EP-2223917-A1 Isothiazolyloxyphenylamidines and their use as fungicides Bayer CropScience AG (DE) 2010-09-01 EP disclosed
EP-2221293-A1 AMIDE COMPOUND AND BACTERIAL DISEASE CONTROL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE The University of Tokyo (JP) 2010-08-25 EP disclosed
WO-2010086118-A1 ISOTHIAZOLYLOXYPHENYL AMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-08-05 WO disclosed
WO-2010086118-A1 ISOTHIAZOLYLOXYPHENYL AMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-08-05 WO disclosed
EP-2077260-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM FORMATION INHIBITOR, BIOFILM REMOVER AND BACTERICIDE EACH USING THE AMIDE COMPOUND OR SALT THEREOF The University of Tokyo (JP) 2009-07-08 EP disclosed
US-20090068120-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME OTSUKA CHEMICAL CO., LTD. (JP) 2009-03-12 US disclosed
EP-1177232-B1 COMPOSITION COMPRISING MERCAPTO-FUNCTIONAL COMPOUNDS AKZO NOBEL NV (NL) 2003-07-30 EP disclosed
US-6420316-B1 1-(2-HALO-4-THIOCARBAMIDO-5-METHYLSULPHONYLAMIDOPHENYL)-3-DI-O R TRIFLUOROMETHYL-4-ALKYL-3H-1,2,4-TRIAZOLIN-5-ONES; THIO-CARBONYLATION OF A BENZONITRILE; DESICCANTS; DEFOLIANTS; CONTROLLING WEEDS, SUCH AS MONO- AND DICOTYLEDONS IN CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed