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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6169380

N/N=C\c1cccc(CC(NS(=O)(=O)Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C(N)=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 14/20 0.46
▸ F2 P00734 14/20 0.46
▸ PRSS2 P07478 12/20 0.46
▸ PRSS3 P35030 12/20 0.46
▸ F10 P00742 8/20 0.43
▸ PLG P00747 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40

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 SCHEMBL6170992 0.90 ITGB3 (0.40) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6173596 0.86 PRSS1 (0.44) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6162418 0.82 F10 (0.51) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6162400 0.82 F10 (0.51) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6166135 0.80 F10 (0.49) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6166128 0.80 F10 (0.49) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7101965 0.79 F10 (0.49) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7101960 0.79 F10 (0.49) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6167607 0.79 F10 (0.48) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6167616 0.79 F10 (0.48) PRSS1F2PRSS2PRSS3F10

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