Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6163656

COC(=O)c1c(Cc2cccc(C(=N)N)c2)c[nH]c1Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
F10 P00742 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 12/20 0.40
F3 P13726 1/20 0.40
MPO P05164 1/20 0.39
TMPRSS6 Q8IU80 6/20 0.39

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 SCHEMBL6166475 0.91 SMN1; SMN2 (0.53) PRSS1PRSS2PRSS3F10SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6166105 0.90 SMN1; SMN2 (0.46) PRSS1PRSS2PRSS3F10SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6161730 0.89 MAPT (0.49) PRSS1PRSS2PRSS3F10SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6162234 0.87 SMN1; SMN2 (0.48) PRSS1PRSS2PRSS3F10SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6164880 0.87 F2 (0.41) PRSS1PRSS2PRSS3F10F2
Trifluoroacetic Acid SCHEMBL6165807 0.87 F2 (0.41) PRSS1PRSS2PRSS3F10F2
Trifluoroacetic Acid SCHEMBL6163464 0.86 SMN1; SMN2 (0.47) PRSS1PRSS2PRSS3F10SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6166227 0.86 SMN1; SMN2 (0.40) PRSS1PRSS2PRSS3F10SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6163059 0.85 SMN1; SMN2 (0.47) PRSS1PRSS2PRSS3F10SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6166062 0.84 SMN1; SMN2 (0.44) PRSS1F10SMN1; SMN2F2TMPRSS6

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