Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7150667

N=C(N)c1ccc2cc(Oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3C(=O)O)ccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.48
ALDH1A1 P00352 2/20 0.44
F2 P00734 6/20 0.43
TMPRSS6 Q8IU80 1/20 0.43
F10 P00742 3/20 0.43
AR P10275 1/20 0.43
F3 P13726 3/20 0.42
F7 P08709 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PLAU P00749 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
PYGL P06737 2/20 0.41

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 SCHEMBL7150780 0.88 PRSS1 (0.55) PGRALDH1A1F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL7158701 0.86 F2 (0.53) ALDH1A1F2F10F3F7
Trifluoroacetic Acid SCHEMBL7153927 0.85 F2 (0.49) ALDH1A1F2F10F3F7
Trifluoroacetic Acid SCHEMBL7155335 0.83 F2 (0.56) ALDH1A1F2TMPRSS6F10F3
Trifluoroacetic Acid SCHEMBL7156674 0.83 PRSS1 (0.61) PGRALDH1A1F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL7157233 0.82 PRSS1 (0.55) PGRALDH1A1F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL6300672 0.81 F10 (0.48) F2F10F3F7
Trifluoroacetic Acid SCHEMBL7150783 0.81 PRSS1 (0.58) PGRALDH1A1F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL7157235 0.81 F3 (0.44) PGRF2F10F3F7
Trifluoroacetic Acid SCHEMBL7180418 0.80 F2 (0.49) F2TMPRSS6F10F3F7

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
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed