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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6436673

C[N+](C)(C)Cc1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1.C[N+](C)(C)Cc1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.85

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.85
▸ F2 P00734 4/20 0.73

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 SCHEMBL6436670 0.98 F10 (0.82) F10F2
SCHEMBL6436674 0.92 F10 (0.73) F10F2
Trifluoroacetic Acid SCHEMBL6433252 0.92 F10 (1.00) F10F2
Trifluoroacetic Acid SCHEMBL6433249 0.90 F10 (0.95) F10F2
Trifluoroacetic Acid SCHEMBL6437354 0.88 F10 (1.00) F10F2
Trifluoroacetic Acid SCHEMBL6437352 0.86 F10 (0.95) F10F2
Trifluoroacetic Acid SCHEMBL6434781 0.86 F10 (0.88) F10F2
SCHEMBL12589590 0.84 F10 (1.00) F10F2
SCHEMBL6433255 0.84 F10 (0.85) F10F2
Trifluoroacetic Acid SCHEMBL6432433 0.84 F10 (1.00) F10F2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 — — EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 — — US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 — — EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 — — WO disclosed