Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4067985

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)CCCCCNC(=N)N)CC5)CCCC4)c3Cl)c2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.77

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
SCHEMBL4060300 0.96 BDKRB2 (0.82) BDKRB2
Trifluoroacetic Acid SCHEMBL4062205 0.92 BDKRB2 (0.71) BDKRB2
Trifluoroacetic Acid SCHEMBL4058576 0.91 BDKRB2 (0.79) BDKRB2
Trifluoroacetic Acid SCHEMBL4060655 0.91 BDKRB2 (0.79) BDKRB2
Trifluoroacetic Acid SCHEMBL4058370 0.87 BDKRB2 (0.75) BDKRB2
SCHEMBL4243798 0.87 BDKRB2 (0.85) BDKRB2
SCHEMBL4243807 0.87 BDKRB2 (0.85) BDKRB2
SCHEMBL4247022 0.87 BDKRB2 (0.85) BDKRB2
Trifluoroacetic Acid SCHEMBL4063216 0.86 BDKRB2 (0.72) BDKRB2
SCHEMBL4058231 0.86 BDKRB2 (0.78) BDKRB2

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
EP-1513531-B1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE SPA (IT) 2009-10-21 EP claimed