Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28336576

O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(C4CC4)cc3Cl)CC2)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 16/20 0.68
▸ SCN7A Q01118 5/20 0.62
▸ SCN5A Q14524 5/20 0.62
▸ SCN1A P35498 1/20 0.62
▸ SCN4A P35499 1/20 0.62
▸ SCN2A Q99250 1/20 0.62
▸ SCN3A Q9NY46 1/20 0.62
▸ SCN8A Q9UQD0 1/20 0.62

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
SCHEMBL16770608 0.96 SCN9A (0.74) SCN9ASCN7ASCN5ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL28338904 0.92 SCN9A (0.67) SCN9ASCN7ASCN5ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL28338225 0.92 SCN9A (0.73) SCN9ASCN7ASCN5ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL28338189 0.90 SCN9A (0.64) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL16770661 0.88 SCN9A (0.73) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL16770560 0.88 SCN7A (0.76) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL16770791 0.85 SCN9A (0.70) SCN9ASCN7ASCN5ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL16759738 0.85 SCN9A (0.59) SCN9ASCN7ASCN5ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL16759740 0.85 SCN9A (0.59) SCN9ASCN7ASCN5ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL28338373 0.84 SCN9A (0.72) SCN9ASCN7ASCN5ASCN1ASCN4A

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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