Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6163584

CCOC(=O)c1c(-c2ccc(-c3ccccn3)cc2)c[nH]c1Cc1cccc(C(=N)N)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
PRSS1 P07477 13/20 0.46
F2 P00734 12/20 0.46
F3 P13726 1/20 0.41
ALOX5 P09917 2/20 0.38
PRSS2 P07478 7/20 0.38
PRSS3 P35030 7/20 0.38
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
F7 P08709 1/20 0.36

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 SCHEMBL6165502 0.88 ALOX5 (0.41) F10PRSS1F2ALOX5PRSS2
Trifluoroacetic Acid SCHEMBL6164576 0.87 F10 (0.46) F10PRSS1F2F3ALOX5
Trifluoroacetic Acid SCHEMBL6166404 0.85 PRSS1 (0.53) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6165958 0.83 PRSS1 (0.46) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6167982 0.83 F10 (0.42) F10PRSS1F2F3ALOX5
Trifluoroacetic Acid SCHEMBL6166475 0.82 SMN1; SMN2 (0.53) F10PRSS1F2F3ALOX5
Trifluoroacetic Acid SCHEMBL6161730 0.82 MAPT (0.49) F10PRSS1F2ALOX5PRSS2
SCHEMBL6162975 0.80 MAPK14 (0.44) ALOX5
Trifluoroacetic Acid SCHEMBL7106469 0.79 F10 (0.45) F10PRSS1F2F3PRSS2
Trifluoroacetic Acid SCHEMBL6162234 0.79 SMN1; SMN2 (0.48) F10PRSS1F2F3ALOX5

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 6 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
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