SCHEMBL7034833

SCHEMBL7034833

CCOC(=O)C(Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.42

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
SCHEMBL7030239 0.91 PPOX (0.44) PPOX
Carfentrazone-Ethyl SCHEMBL29436144 0.88 PPOX (0.43) PPOX
Carfentrazone-Ethyl SCHEMBL38936 0.88 PPOX (0.43) PPOX
Carfentrazone-Ethyl SCHEMBL28318124 0.87 PPOX (0.42) PPOX
SCHEMBL16487876 0.86 PPOX (0.44) PPOX
Carfentrazone-Ethyl SCHEMBL18765264 0.86 PPOX (0.43) PPOX
Carfentrazone-Ethyl SCHEMBL19642076 0.85 PPOX (0.41) PPOX
Carfentrazone-Ethyl SCHEMBL457284 0.85 PPOX (0.41) PPOX
SCHEMBL7910221 0.84 PPOX (0.35) PPOX
SCHEMBL3302402 0.82 PPOX (0.44) 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 8 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 claimed
US-6077959-A Process for the preparation of a triazolinone herbicide FMC CORPORATION (US) 2000-06-20 US claimed
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