SCHEMBL7888784

SCHEMBL7888784

CCc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Br

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31

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
SCHEMBL7889818 0.86 PTGS2 (0.32)
SCHEMBL7881686 0.86 BCAT1 (0.32) BCAT2BCAT1
SCHEMBL7882023 0.85
SCHEMBL5847120 0.85 BCAT1 (0.33) BCAT2BCAT1
SCHEMBL3896362 0.84 JAK2 (0.30)
SCHEMBL7658220 0.84 PPOX (0.37)
SCHEMBL7881691 0.83 DDR1 (0.30)
SCHEMBL7888781 0.83 ALDH1A1 (0.32)
SCHEMBL7887321 0.82 KMT2A (0.40)
SCHEMBL7889837 0.82 BCAT1 (0.33) BCAT2BCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP disclosed