Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6167982

CCOC(=O)c1c(-c2cccc(C(=N)N)c2)c[nH]c1Cc1ccc2ccccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.42
F2 P00734 6/20 0.42
TMPRSS6 Q8IU80 1/20 0.39
PRSS1 P07477 5/20 0.39
ALOX5 P09917 3/20 0.38
F3 P13726 2/20 0.38
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
PLG P00747 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 SCHEMBL6168271 0.89 SMN1; SMN2 (0.46) F10F2TMPRSS6PRSS1ALOX5
Trifluoroacetic Acid SCHEMBL6165502 0.84 ALOX5 (0.41) F10F2PRSS1ALOX5PRSS2
Trifluoroacetic Acid SCHEMBL6163584 0.83 F10 (0.46) F10F2PRSS1ALOX5F3
Trifluoroacetic Acid SCHEMBL6164576 0.82 F10 (0.46) F10F2PRSS1ALOX5F3
Trifluoroacetic Acid SCHEMBL6166404 0.82 PRSS1 (0.53) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6166475 0.81 SMN1; SMN2 (0.53) F10F2PRSS1ALOX5F3
Trifluoroacetic Acid SCHEMBL6161730 0.81 MAPT (0.49) F10F2TMPRSS6PRSS1ALOX5
Trifluoroacetic Acid SCHEMBL6162234 0.80 SMN1; SMN2 (0.48) F10F2TMPRSS6PRSS1ALOX5
Trifluoroacetic Acid SCHEMBL6163059 0.80 SMN1; SMN2 (0.47) F10F2PRSS1ALOX5F3
Trifluoroacetic Acid SCHEMBL6165958 0.79 PRSS1 (0.46) 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