SCHEMBL993545

SCHEMBL993545

O=C1CN=C[N]1

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
SCHEMBL7274223 0.71
SCHEMBL1336592 0.61
SCHEMBL5855022 0.61
SCHEMBL7277052 0.61
SCHEMBL935395 0.59
SCHEMBL4316166 0.59
SCHEMBL2139113 0.58
SCHEMBL616020 0.58
Hydrochloric Acid SCHEMBL1806679 0.57
SCHEMBL7314108 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 EP claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 EP claimed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO claimed
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US claimed
US-20080255147-A1 Heterocycles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-10-16 US claimed
EP-1956907-A2 CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-08-20 EP claimed
EP-1904491-A2 HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2008-04-02 EP claimed
WO-2007060220-A2 CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-05-31 WO claimed
WO-2006130493-A2 HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-12-07 WO claimed
EP-0205879-B1 PROCESS FOR THE PREPARATION OF HERBICIDAL 2-(4,4-DISUBSTITUTED 5-OXO-2-IMIDAZOLIN-2-YL)BENZOIC, NICOTINIC AND QUINOLINE-3-CARBOXYLIC ACIDS, ESTERS AND SALTS AMERICAN CYANAMID COMPANY (US) 1993-03-17 EP claimed
US-4709036-A Process for the preparation of herbicidal 2-(4,4-disubstituted-5-oxo-2-imidazolin-2-yl)benzoic, nicotinic and quinoline-3-carboxylic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1987-11-24 US claimed
EP-0205879-A2 Process for the preparation of herbicidal 2-(4,4-disubstituted 5-oxo-2-imidazolin-2-yl)benzoic, nicotinic and quinoline-3-carboxylic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1986-12-30 EP claimed
US-11220485-B2 Chemotherapeutic oxazolone derivatives and pharmaceutical compositions thereof KING ABDULAZIZ UNIVERSITY (SA) 2022-01-11 US disclosed
US-4709036-A Process for the preparation of herbicidal 2-(4,4-disubstituted-5-oxo-2-imidazolin-2-yl)benzoic, nicotinic and quinoline-3-carboxylic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1987-11-24 US disclosed
EP-0205879-A2 Process for the preparation of herbicidal 2-(4,4-disubstituted 5-oxo-2-imidazolin-2-yl)benzoic, nicotinic and quinoline-3-carboxylic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1986-12-30 EP disclosed