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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166227

CCCOC(=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 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ F2 P00734 13/20 0.39
▸ F3 P13726 1/20 0.39
▸ TMPRSS6 Q8IU80 7/20 0.38
▸ F10 P00742 3/20 0.36

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 SCHEMBL6162234 0.93 SMN1; SMN2 (0.48) SMN1; SMN2PRSS1PRSS2PRSS3MAPT
Trifluoroacetic Acid SCHEMBL6163464 0.90 SMN1; SMN2 (0.47) SMN1; SMN2PRSS1PRSS2PRSS3MAPT
Trifluoroacetic Acid SCHEMBL6166475 0.90 SMN1; SMN2 (0.53) SMN1; SMN2PRSS1PRSS2PRSS3MAPT
Trifluoroacetic Acid SCHEMBL6161730 0.89 MAPT (0.49) SMN1; SMN2PRSS1PRSS2PRSS3MAPT
Trifluoroacetic Acid SCHEMBL6164305 0.89 SMN1; SMN2 (0.43) SMN1; SMN2PRSS1PRSS2PRSS3MAPT
Trifluoroacetic Acid SCHEMBL6166105 0.88 SMN1; SMN2 (0.46) SMN1; SMN2PRSS1PRSS2PRSS3MAPT
Trifluoroacetic Acid SCHEMBL6165807 0.88 F2 (0.41) PRSS1PRSS2PRSS3F2F3
Trifluoroacetic Acid SCHEMBL6164880 0.88 F2 (0.41) PRSS1PRSS2PRSS3F2F3
Trifluoroacetic Acid SCHEMBL6163644 0.87 SMN1; SMN2 (0.44) SMN1; SMN2PRSS1PRSS2PRSS3MAPT
Trifluoroacetic Acid SCHEMBL6163059 0.86 SMN1; SMN2 (0.47) SMN1; SMN2PRSS1PRSS2PRSS3MAPT

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