Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4537176

CN(C)c1ccc(NC(=O)N2CCC(CNC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 20/20 0.58
EPHX2 P34913 20/20 0.58

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
Trifluoroacetic Acid SCHEMBL4534264 0.95 EPHX1 (0.54) EPHX1EPHX2
SCHEMBL8059955 0.83 EPHX2 (0.73) EPHX1EPHX2
SCHEMBL4537216 0.78 EPHX2 (0.67) EPHX1EPHX2
SCHEMBL4537735 0.77 EPHX1 (0.63) EPHX1EPHX2
SCHEMBL8926084 0.75 EPHX1 (1.00) EPHX1EPHX2
SCHEMBL4535118 0.73 EPHX2 (0.72) EPHX1EPHX2
SCHEMBL4535609 0.72 EPHX1 (0.65) EPHX1EPHX2
SCHEMBL4541262 0.72 EPHX2 (0.67) EPHX1EPHX2
SCHEMBL4531019 0.71 EPHX1 (0.58) EPHX1EPHX2
SCHEMBL5146592 0.71 EPHX1 (1.00) EPHX1EPHX2

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed