Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6235786

O=C(O)C(F)(F)F.O=S(=O)(c1cccc(F)c1)n1ccc2cc(Nc3ncnc4cc(C#C[C@H]5CCCN5)sc34)ccc21

nearest known ligand 0.54

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.54
ERBB2 P04626 18/20 0.54
ERBB4 Q15303 1/20 0.54

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 SCHEMBL6237996 0.82 EGFR (0.52) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6234612 0.81 EGFR (0.65) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6236359 0.78 EGFR (0.62) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6236213 0.76 EGFR (0.68) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6238965 0.76 ERBB2 (0.52) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6238970 0.76 ERBB2 (0.52) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6234140 0.76 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL6234351 0.75 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL6234355 0.75 EGFR (0.56) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6234949 0.75 EGFR (0.63) EGFRERBB2ERBB4

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
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed