Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15924604

NS(=O)(=O)c1ccccc1-c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 19/20 0.55
PRSS2 P07478 18/20 0.55
PRSS3 P35030 18/20 0.55
F10 P00742 12/20 0.55
F2 P00734 16/20 0.51
SCN9A Q15858 1/20 0.47

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
SCHEMBL48885 0.86 CA2 (0.52) F10SCN9A
Acetic Acid SCHEMBL6695169 0.84 SCN9A (0.50) PRSS1PRSS2PRSS3F10F2
Hydrochloric Acid SCHEMBL6399557 0.84 CA2 (0.50) F10SCN9A
Methane SCHEMBL27503773 0.84 CA2 (0.50) F10SCN9A
Formic Acid SCHEMBL6028133 0.81 CASP1 (0.49) PRSS1PRSS2PRSS3F10SCN9A
SCHEMBL27842438 0.80 CA1 (0.54) F10SCN9A
SCHEMBL8350056 0.80 CA1 (0.54) SCN9A
Trifluoroacetic Acid SCHEMBL27848730 0.79 CA2 (0.45)
Trimethylammonium SCHEMBL27979852 0.79 CA2 (0.45) F10SCN9A
SCHEMBL8659843 0.78 CA2 (0.48) SCN9A

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-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP claimed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO claimed