Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4355575

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCCN)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
CA2 P00918 3/20 0.35
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34
ANPEP P15144 1/20 0.34
GALR1 P47211 1/20 0.34
CTRB1 P17538 1/20 0.34
TLR2 O60603 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
F2 P00734 1/20 0.32

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 SCHEMBL4359902 0.98 EPOR (0.38) EPORCA12CA1CA9CA2
Trifluoroacetic Acid SCHEMBL4363440 0.94 CTRB1 (0.35) EPORCA12CA1CA9CA2
SCHEMBL5548812 0.91 EPOR (0.42) EPORANPEPTLR2DPP7F2
SCHEMBL4738904 0.91 EPOR (0.42) EPORANPEPTLR2DPP7F2
Trifluoroacetic Acid SCHEMBL4363452 0.89 CTRB1 (0.36) CTRB1DPP8DPP7
SCHEMBL8893033 0.85 CYP1A2 (0.37) EPOR
SCHEMBL8892535 0.85 CYP1A2 (0.37) EPOR
SCHEMBL25179548 0.84 CYP1A2 (0.34) EPOR
SCHEMBL1000116 0.83 BCHE (0.37) CTRB1
SCHEMBL1000114 0.83 BCHE (0.37) CTRB1

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
EP-1923397-B1 Fluorinated amino acids and peptides NERVIANO MEDICAL SCIENCES SRL (IT) 2009-10-28 EP disclosed
EP-1923397-A1 Fluorinated amino acids and peptides NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-05-21 EP disclosed