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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7921756

NC(=O)[C@@H]1CCN(Cc2ccc3c(N)ncnc3c2)C1=O.Nc1ncnc2cc(CN3CC[C@H](N)C3=O)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.43
▸ DGAT1 O75907 1/20 0.37
▸ MAP4K4 O95819 1/20 0.33
▸ MET P08581 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33

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 SCHEMBL6220784 0.96 F10 (0.46) F10DGAT1MAP4K4METHSP90AB1
Trifluoroacetic Acid SCHEMBL7409145 0.96 F10 (0.46) F10DGAT1MAP4K4METHSP90AB1
Trifluoroacetic Acid SCHEMBL7545753 0.94 F10 (0.45) F10DGAT1HSP90AB1
Trifluoroacetic Acid SCHEMBL6220788 0.94 F10 (0.45) F10DGAT1HSP90AB1
Trifluoroacetic Acid SCHEMBL7409149 0.94 F10 (0.45) F10DGAT1HSP90AB1
SCHEMBL6221508 0.89 F10 (0.49) F10DGAT1MAP4K4
Trifluoroacetic Acid SCHEMBL7213639 0.88 DGAT1 (0.39) F10DGAT1MAP4K4
Trifluoroacetic Acid SCHEMBL7219247 0.86 DGAT1 (0.40) F10DGAT1MAP4K4
SCHEMBL7538265 0.85 F10 (0.52) F10DGAT1HSP90AB1
SCHEMBL6221509 0.85 F10 (0.52) F10DGAT1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 — — US disclosed