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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8347672

CCC(CC(=O)O)c1cccc(C(=N)N)c1.Cc1ccc(NS(C)(=O)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.54
▸ F10 P00742 9/20 0.54
▸ PRSS1 P07477 6/20 0.54
▸ TMPRSS6 Q8IU80 3/20 0.41
▸ HPN P05981 3/20 0.40
▸ PLAU P00749 2/20 0.40

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 SCHEMBL7463474 0.94 F2 (0.54) F2F10PRSS1TMPRSS6
SCHEMBL7363610 0.88 F10 (0.60) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL8346838 0.86 F10 (0.53) F2F10PRSS1TMPRSS6
4-Methylbenzoic Acid Methyl Ester SCHEMBL8350198 0.84 F2 (0.54) F2F10PRSS1TMPRSS6
Benzamide SCHEMBL7364697 0.82 F10 (0.55) F2F10PRSS1TMPRSS6
4-Methylbenzimidamide SCHEMBL7357637 0.81 F10 (0.65) F2F10PRSS1
Methyl Benzoate SCHEMBL7560351 0.80 F2 (0.55) F2F10PRSS1TMPRSS6
Benzamidine SCHEMBL7366537 0.77 F10 (0.67) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL7451254 0.76 EEF2K (0.53) F2TMPRSS6HPNPLAU
Trifluoroacetic Acid SCHEMBL7458596 0.76 F2 (0.75) F2F10PRSS1TMPRSS6

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
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 — — US disclosed