Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28336652

O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.65
▸ SCN7A Q01118 2/20 0.47
▸ SCN5A Q14524 2/20 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
SCHEMBL17062137 0.97 SCN9A (0.69) SCN9ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL16759535 0.95 SCN9A (0.72) SCN9ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL28338349 0.92 SCN9A (0.58) SCN9ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL28078762 0.90 SCN9A (0.63) SCN9ASCN7ASCN5A
SCHEMBL16770529 0.90 SCN9A (0.79) SCN9ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL16758862 0.89 SCN9A (0.72) SCN9ASCN5A
SCHEMBL17062112 0.89 SCN9A (0.61) SCN9ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL16759198 0.87 SCN9A (0.59) SCN9ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL28336517 0.87 SCN9A (0.58) SCN9ASCN7ASCN5A
SCHEMBL18682108 0.87 SCN9A (0.87) SCN9ASCN7ASCN5A

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-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 — — CN disclosed
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