SCHEMBL1926575

SCHEMBL1926575

COC[C](C)C#N

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
SCHEMBL12494614 0.73
SCHEMBL3214982 0.72
SCHEMBL16237342 0.72
SCHEMBL13130714 0.72
SCHEMBL10334208 0.69
SCHEMBL3615893 0.67
SCHEMBL16236891 0.67
SCHEMBL22304775 0.67
SCHEMBL16237177 0.65
SCHEMBL20551304 0.65 GAA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP claimed
US-7956188-B2 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US claimed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US claimed
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US claimed
EP-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP claimed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 EP claimed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO claimed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US claimed
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 WO claimed
US-4288384-A N-Cyanoalkyl haloacetamides herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1981-09-08 US claimed
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
EP-2997020-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-03-23 EP disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
WO-2014184343-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2014-11-20 WO disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US disclosed
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 WO disclosed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO disclosed