Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7420441

O=C(O)C(F)(F)F.OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.60
FFAR4 Q5NUL3 2/20 0.60
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOB P27338 1/20 0.54
PARP10 Q53GL7 1/20 0.54
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
PPARG P37231 3/20 0.54
PPARA Q07869 2/20 0.54

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
SCHEMBL126452 0.87 LMNA (0.70) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL1746578 0.82 LTA4H (0.71) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL6192316 0.82 LMNA (0.63) FFAR1FFAR4NR4A1NR4A2NR4A3
Trifluoroacetic Acid SCHEMBL8208389 0.81 PTPN1 (0.63) FFAR1FFAR4PTGS1LTA4HPPARG
SCHEMBL2381708 0.81 CES1 (0.69) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL7420439 0.81 MAOB (0.58) FFAR1FFAR4NR4A1NR4A2NR4A3
Trifluoroacetic Acid SCHEMBL17136548 0.81 MAOB (0.63) FFAR1FFAR4MAOBPPARG
SCHEMBL5400014 0.81 APP (0.64) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL7764407 0.79 NR4A2 (0.68) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL3490381 0.79 FFAR1 (0.70) FFAR1FFAR4LTA4HEPHX2

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-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 WO disclosed