SCHEMBL6234932

SCHEMBL6234932

CC(=O)C(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.51
BCAT2 O15382 18/20 0.46

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
SCHEMBL10529989 0.88 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL7887437 0.80 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL4572165 0.80 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL6229598 0.80 DHODH (0.33) BCAT1
SCHEMBL9189221 0.78 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL7888891 0.77 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL9183818 0.77 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL10575514 0.77 PPOX (0.57) BCAT1BCAT2
SCHEMBL6231046 0.77 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL5846798 0.77 BCAT1 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984945-B1 SUBSTITUTED IMINOALKOXY-PHENYLURACILS, THE PRODUCTION AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-04-27 EP disclosed
US-6245715-B1 APPLYING TO PLANT; AMINATION BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
EP-0984945-A1 SUBSTITUTED IMINOALKOXY-PHENYLURACILS, THE PRODUCTION AND USE THEREOF AS HERBICIDES Bayer Aktiengesellschaft (DE) 2000-03-15 EP disclosed
WO-1998054155-A1 SUBSTITUTED IMINOALKOXY-PHENYLURACILS, THE PRODUCTION AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-12-03 WO disclosed