Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6237996

Fc1ccc(F)c(Cn2ccc3cc(Nc4ncnc5cc(C#C[C@H]6CCCN6)sc45)ccc32)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.52
ERBB2 P04626 17/20 0.52
ERBB4 Q15303 1/20 0.51

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
SCHEMBL6240376 0.84 EGFR (0.58) EGFRERBB2
SCHEMBL6236186 0.84 EGFR (0.58) EGFRERBB2
SCHEMBL6235493 0.84 EGFR (0.54) EGFRERBB2ERBB4
SCHEMBL6235467 0.84 EGFR (0.51) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6235786 0.82 EGFR (0.54) EGFRERBB2ERBB4
SCHEMBL6238108 0.82 EGFR (0.65) EGFRERBB2
SCHEMBL6238409 0.82 EGFR (0.65) EGFRERBB2
SCHEMBL6243322 0.81 EGFR (0.73) EGFRERBB2
Trifluoroacetic Acid SCHEMBL6234612 0.81 EGFR (0.65) EGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL6269151 0.80 EGFR (0.72) EGFRERBB2

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