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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6170767

N/N=C\c1ccc(O)c(CC(NC(=O)OCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C(N)=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 15/20 0.41
▸ PRSS2 P07478 13/20 0.41
▸ PRSS3 P35030 13/20 0.41
▸ F2 P00734 13/20 0.41
▸ F10 P00742 8/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ F7 P08709 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 SCHEMBL6173596 0.89 PRSS1 (0.44) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6169380 0.75 PRSS1 (0.46) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6170769 0.75 PRSS1 (0.52) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6166135 0.73 F10 (0.49) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6166128 0.73 F10 (0.49) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6162418 0.72 F10 (0.51) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6162400 0.72 F10 (0.51) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6167772 0.72 F10 (0.42) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6167787 0.72 F10 (0.42) PRSS1PRSS2PRSS3F2F10
Trifluoroacetic Acid SCHEMBL6167607 0.72 F10 (0.48) PRSS1PRSS2PRSS3F2F10

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 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