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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166404

CCOC(=O)c1c(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c[nH]c1Cc1cccc(C(=N)N)c1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 19/20 0.53
▸ F10 P00742 8/20 0.53
▸ PRSS2 P07478 17/20 0.53
▸ PRSS3 P35030 17/20 0.53
▸ F2 P00734 16/20 0.53
▸ PLG P00747 1/20 0.52
▸ PLAT P00750 1/20 0.52
▸ F7 P08709 1/20 0.52

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 SCHEMBL6165958 0.93 PRSS1 (0.46) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6164234 0.89 PRSS1 (0.48) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6165502 0.87 ALOX5 (0.41) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6163584 0.85 F10 (0.46) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6164576 0.83 F10 (0.46) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6167982 0.82 F10 (0.42) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6166475 0.81 SMN1; SMN2 (0.53) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6161730 0.81 MAPT (0.49) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6164772 0.79 PRSS1 (0.59) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6162234 0.78 SMN1; SMN2 (0.48) PRSS1F10PRSS2PRSS3F2

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