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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6164880

CC(C)OC(=O)c1c(Cc2ccc(C(=N)N)cc2)c[nH]c1Cc1cccc(C(=N)N)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.41
▸ PRSS1 P07477 6/20 0.41
▸ F10 P00742 4/20 0.41
▸ F3 P13726 1/20 0.41
▸ PRSS2 P07478 3/20 0.41
▸ PRSS3 P35030 3/20 0.41
▸ TMPRSS6 Q8IU80 7/20 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 SCHEMBL6165807 1.00 F2 (0.41) F2PRSS1F10F3PRSS2
Trifluoroacetic Acid SCHEMBL6162234 0.90 SMN1; SMN2 (0.48) F2PRSS1F10F3PRSS2
Trifluoroacetic Acid SCHEMBL6166227 0.88 SMN1; SMN2 (0.40) F2PRSS1F10F3PRSS2
Trifluoroacetic Acid SCHEMBL6163656 0.87 PRSS1 (0.46) F2PRSS1F10F3PRSS2
Trifluoroacetic Acid SCHEMBL6163464 0.86 SMN1; SMN2 (0.47) F2PRSS1F10F3PRSS2
Trifluoroacetic Acid SCHEMBL6164305 0.86 SMN1; SMN2 (0.43) F2PRSS1F10F3PRSS2
Trifluoroacetic Acid SCHEMBL6166475 0.86 SMN1; SMN2 (0.53) F2PRSS1F10F3PRSS2
Trifluoroacetic Acid SCHEMBL6161730 0.85 MAPT (0.49) F2PRSS1F10PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6166105 0.85 SMN1; SMN2 (0.46) F2PRSS1F10PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6163644 0.83 SMN1; SMN2 (0.44) F2PRSS1F10F3PRSS2

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