SCHEMBL29005679

SCHEMBL29005679

CC(=O)OOc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.51
BCAT2 O15382 16/20 0.51

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
SCHEMBL29005677 0.91 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL27044949 0.87 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL3248252 0.87 BCAT1 (0.39) BCAT1BCAT2
SCHEMBL29005880 0.87 BCAT1 (0.38) BCAT1BCAT2
SCHEMBL25252724 0.87 BCAT1 (0.47) BCAT1BCAT2
SCHEMBL27044955 0.86 BCAT1 (0.49) BCAT1BCAT2
SCHEMBL6263807 0.85 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL27047469 0.85 BCAT1 (0.49) BCAT1BCAT2
SCHEMBL27044963 0.84 BCAT1 (0.47) BCAT1BCAT2
SCHEMBL7644653 0.84 BCAT1 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996638-A Substituted N-phenyluracils and salts thereof and their use as herbicidal agents 拜耳股份有限公司 2023-04-21 CN disclosed