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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6170447

CS(=O)(=O)N[C@@H](Cc1cccc(C(=N)N)c1)C(=O)NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.52

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.52
▸ TMPRSS6 Q8IU80 4/20 0.52
▸ F10 P00742 8/20 0.51
▸ PRSS1 P07477 14/20 0.51
▸ PRSS2 P07478 11/20 0.51
▸ PRSS3 P35030 11/20 0.51
▸ PLG P00747 1/20 0.48
▸ PLAT P00750 1/20 0.48
▸ F7 P08709 1/20 0.48

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 SCHEMBL6163326 0.85 F10 (0.70) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6170016 0.80 OPRK1 (0.36) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7100339 0.80 F10 (0.62) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6170561 0.79 F10 (0.50) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6171857 0.79 F2 (0.60) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6162123 0.79 PRSS1 (0.56) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6162924 0.77 F10 (0.59) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6162940 0.77 F10 (0.59) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6164856 0.77 F10 (0.65) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6171416 0.77 TMPRSS6 (0.58) F2TMPRSS6F10PRSS1PRSS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 — — EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 — — EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 — — WO claimed