SCHEMBL857558

SCHEMBL857558

NN(C=S)C(=O)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
SCHEMBL14988849 0.69
SCHEMBL5416201 0.67
SCHEMBL10888909 0.67
SCHEMBL7465345 0.65
SCHEMBL2512586 0.63
SCHEMBL4038182 0.63
SCHEMBL2516922 0.60
SCHEMBL10981542 0.60 ACHE (0.39)
SCHEMBL1287796 0.60
SCHEMBL14967830 0.58

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2851367-B1 PROCESS FOR THE PREPARATION OF A 2-AMINO-5,8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE BY REACTION OF A 5-HALO-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINE WITH AN ALKALI METAL ALKOXIDE IN AN ALCOHOLIC SOLVENT DOW AGROSCIENCES LLC (US) 2016-10-26 EP disclosed
EP-2576558-B9 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2015-07-08 EP disclosed
EP-2851367-A1 Process for the preparation of a 2-amino-5,8-alkoxy[1,2,4]triazolo[1,5-c]pyrimidine by reaction of a 5-halo-8-alkoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amine with an alkali metal alkoxide in an alcoholic solvent Dow AgroSciences LLC (US) 2015-03-25 EP disclosed
EP-2576558-B1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2014-12-24 EP disclosed
US-8143395-B2 Process for the preparation of 5-substituted-8-alkoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amines DOW AGROSCIENCES LLC (US) 2012-03-27 US disclosed
US-20110295003-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2011-12-01 US disclosed