Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166216

CCS(=O)(=O)N[C@@H](Cc1cccc(C(=N)N)c1)C(=O)Nc1ccc(-c2ccccc2C#N)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.53
F2 P00734 14/20 0.49
TMPRSS6 Q8IU80 4/20 0.49
PRSS1 P07477 12/20 0.47
PRSS2 P07478 10/20 0.47
PRSS3 P35030 10/20 0.47
F9 P00740 1/20 0.45

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 SCHEMBL6164437 0.95 F10 (0.51) F10F2TMPRSS6PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6167095 0.93 F10 (0.54) F10F2TMPRSS6PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6164993 0.88 F10 (0.54) F10F2TMPRSS6PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6163380 0.87 F10 (0.52) F10F2TMPRSS6PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6174580 0.87 F10 (0.52) F10F2TMPRSS6PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6164055 0.87 F10 (0.51) F10F2TMPRSS6PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6164228 0.86 F10 (0.48) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6167642 0.85 F10 (0.47) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6162344 0.85 F9 (0.48) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6162199 0.84 F9 (0.47) F10F2PRSS1PRSS2PRSS3

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