Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4359902

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
ANPEP P15144 1/20 0.36
SSTR1 P30872 2/20 0.36
SSTR2 P30874 2/20 0.36
SSTR4 P31391 2/20 0.36
SSTR5 P35346 2/20 0.36
SSTR3 P32745 1/20 0.36
GALR1 P47211 1/20 0.35
CTRB1 P17538 1/20 0.34
F2 P00734 1/20 0.34
TLR2 O60603 2/20 0.34
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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 SCHEMBL4355575 0.98 EPOR (0.36) EPORCA12CA1CA9CA2
Trifluoroacetic Acid SCHEMBL4363440 0.94 CTRB1 (0.35) EPORCA12CA1CA9CA2
SCHEMBL4738904 0.94 EPOR (0.42) EPORANPEPF2TLR2TP53
SCHEMBL5548812 0.94 EPOR (0.42) EPORANPEPF2TLR2TP53
Trifluoroacetic Acid SCHEMBL4363452 0.89 CTRB1 (0.36) CTRB1
SCHEMBL8893033 0.88 CYP1A2 (0.37) EPOR
SCHEMBL8892535 0.88 CYP1A2 (0.37) EPOR
SCHEMBL25179548 0.86 CYP1A2 (0.34) EPOR
SCHEMBL25182246 0.85 PRSS1 (0.37) CTRB1TLR2
SCHEMBL1000116 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