Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7158131

N=C(N)c1ccc(CCOc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
TMPRSS6 Q8IU80 11/20 0.46
MRGPRX1 Q96LB2 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F10 P00742 2/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
METAP2 P50579 1/20 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 SCHEMBL7157168 0.92 MGAT2 (0.50) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7154693 0.89 PRSS1 (0.49) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7154599 0.88 F10 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6
Trifluoroacetic Acid SCHEMBL7151221 0.86 ST14 (0.62) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7158302 0.83 F2 (0.59) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7154637 0.83 F2 (0.40) F2PRSS1PRSS2PRSS3TMPRSS6
Trifluoroacetic Acid SCHEMBL7158701 0.81 F2 (0.53) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7157181 0.80 F3 (0.50) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7151889 0.78 F2 (0.51) F2PRSS1PRSS2PRSS3ST14
SCHEMBL5866292 0.78 F2 (0.60) F2PRSS1PRSS2PRSS3ST14

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