SCHEMBL9490372

SCHEMBL9490372

NC(=O)c1c(F)c(F)c(O)c(F)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
DPP4 P27487 1/20 0.30

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
SCHEMBL9490363 1.00 ESR1 (0.34) ESR1DPP4
SCHEMBL29773954 0.89 ESR1 (0.39) ESR1DPP4
SCHEMBL7579018 0.89 ESR1 (0.39) ESR1DPP4
Water SCHEMBL9861421 0.86 ESR1 (0.38) ESR1DPP4
SCHEMBL28924074 0.86 ESR1 (0.38) ESR1DPP4
SCHEMBL8641404 0.86 MEN1 (0.36)
SCHEMBL707937 0.84 ESR1 (0.39) ESR1
SCHEMBL8375873 0.81 ESR1 (0.38) ESR1DPP4
SCHEMBL721202 0.81 ESR1 (0.41) ESR1DPP4
SCHEMBL31021584 0.79 DPP4 (0.36) ESR1DPP4

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-5233082-A Method of making 3-hydroxy-2,4,5-trifluorobenzoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1993-08-03 US claimed
US-5233082-A Method of making 3-hydroxy-2,4,5-trifluorobenzoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1993-08-03 US disclosed