Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL27484825

O=C(O)C(F)(F)F.O=C(O)CCc1cccc(Br)c1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.59
FFAR4 Q5NUL3 4/20 0.59
THRA P10827 3/20 0.58
THRB P10828 3/20 0.58
ESR1 P03372 1/20 0.58
NR3C1 P04150 1/20 0.58
PGR P06401 1/20 0.58
NR3C2 P08235 1/20 0.58
AR P10275 1/20 0.58
KEAP1 Q14145 1/20 0.52
PTPRB P23467 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
PTEN P60484 1/20 0.50
PTPMT1 Q8WUK0 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
PPARD Q03181 1/20 0.46
KMT2A Q03164 1/20 0.44

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
SCHEMBL6586 0.92 FFAR1 (0.68) FFAR1FFAR4THRATHRBESR1
Trifluoroacetic Acid SCHEMBL27561830 0.83 L3MBTL1 (0.47) FFAR1FFAR4THRATHRBESR1
SCHEMBL1445967 0.81 HDAC3 (0.63) FFAR1FFAR4THRATHRBESR1
Phenyl Propionic Acid SCHEMBL27428011 0.81 KEAP1 (0.79) FFAR1FFAR4KEAP1
SCHEMBL29676744 0.80 MAPT (0.62) FFAR1FFAR4THRATHRBESR1
SCHEMBL2067295 0.80 MAPT (0.62) FFAR1FFAR4THRATHRBESR1
Trifluoroacetic Acid SCHEMBL27529274 0.80 FFAR1 (0.61) FFAR1FFAR4KEAP1PPARD
Trifluoroacetic Acid SCHEMBL5657671 0.79 EGFR (0.46) FFAR1FFAR4THRATHRBESR1
SCHEMBL7332798 0.79 TAAR1 (0.57) FFAR1FFAR4THRATHRBESR1
Phenyl Propionic Acid SCHEMBL27403516 0.79 KEAP1 (0.76) FFAR1FFAR4KEAP1

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
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed