SCHEMBL7653665

SCHEMBL7653665

COc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C#N

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.72
BCAT2 O15382 16/20 0.72

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
SCHEMBL6237813 0.89 BCAT1 (0.82) BCAT1BCAT2
SCHEMBL5922790 0.86 BCAT1 (0.67) BCAT1BCAT2
SCHEMBL24824854 0.84 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL29779272 0.84 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL29779261 0.84 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825974 0.84 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24825580 0.84 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL29779361 0.84 BCAT1 (0.84) BCAT1BCAT2
SCHEMBL24824016 0.84 BCAT1 (1.00) BCAT1BCAT2
SCHEMBL24823997 0.84 BCAT1 (1.00) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495491-B1 HERBICIDES AND INSECTICIDES; DEFOLIANTS, DESICCANTS, HAULM KILLERS AND ESPECIALLY WEED KILLERS BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-6417141-B1 HERBICIDES AND TO NOVEL INTERMEDIATES. BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed