SCHEMBL7036715

SCHEMBL7036715

Cc1nn(-c2cc(I)c(Cl)cc2F)c(=O)n1C(F)F

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL5970664 0.85 PPOX (0.52) PPOX
SCHEMBL7039510 0.85 PPOX (0.52) PPOX
SCHEMBL5402935 0.85 PPOX (0.52) PPOX
Ammonia Solution, Strong SCHEMBL5970603 0.84 PPOX (0.51) PPOX
SCHEMBL8651668 0.82 PPOX (0.50) PPOX
SCHEMBL10563272 0.82 PPOX (0.50) PPOX
SCHEMBL4059426 0.81 PPOX (0.49) PPOX
SCHEMBL6662195 0.81 PPOX (0.48) PPOX
SCHEMBL10001348 0.80 PPOX (0.47) PPOX
SCHEMBL13528799 0.80 PPOX (0.67) PPOX

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-1036068-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF A TRIAZOLINE HERBICIDE FMC CORP (US) 2003-03-12 EP disclosed
US-6268506-B1 REACTING ALKYL ACETYL-5-(4-(DIFLUOROMETHYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-1,2 , 4-TRIAZOL-1-YL)-2,4-DISUBSTITUTED-BENZENE-PROPANOATE WITH SODIUM HYPOCHLORITE, THEN WITH BASE, AND RECOVERING PRODUCT FMC CORPORATION 2001-07-31 US disclosed
US-6194583-B1 AS HERBICIDE FMC CORPORATION 2001-02-27 US disclosed
EP-1036068-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF A TRIAZOLINE HERBICIDE FMC CORPORATION (US) 2000-09-20 EP disclosed
US-6077959-A Process for the preparation of a triazolinone herbicide FMC CORPORATION (US) 2000-06-20 US disclosed
WO-1999019308-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF A TRIAZOLINE HERBICIDE FMC CORPORATION (US) 1999-04-22 WO disclosed