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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5791564

CCCCN(C(N)=O)N(CC(C)C)c1ccnc(C#N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.35
▸ HRH4 Q9H3N8 2/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ LNPEP Q9UIQ6 2/20 0.30
▸ FGFR4 P22455 1/20 0.30

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 SCHEMBL5791710 0.91 CTSK (0.38) CTSKHRH4HRH3FGFR4
Trifluoroacetic Acid SCHEMBL5794082 0.90 CTSK (0.36) CTSKFGFR4
Trifluoroacetic Acid SCHEMBL5791177 0.89 CTSK (0.42) CTSKLNPEP
SCHEMBL5792640 0.87 CTSK (0.36) CTSKHRH4FGFR4
Trifluoroacetic Acid SCHEMBL5792598 0.85 CTSK (0.48) CTSKLNPEP
SCHEMBL5804672 0.83 CTSK (0.36) CTSKFGFR4
Trifluoroacetic Acid SCHEMBL5792731 0.80 CTSK (0.35) CTSKHRH4HRH3LNPEP
SCHEMBL5793393 0.79 CTSK (0.41) CTSKFGFR4
SCHEMBL5791444 0.78 CTSK (0.40) CTSKFGFR4
SCHEMBL5792575 0.78 CTSK (0.44) CTSKFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 — — WO claimed
WO-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 — — WO disclosed