Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16758937

C[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.76
▸ SCN5A Q14524 6/20 0.76
▸ SCN7A Q01118 5/20 0.76
▸ SCN2B O60939 1/20 0.76
▸ SCN1A P35498 1/20 0.76
▸ SCN4A P35499 1/20 0.76
▸ SCN1B Q07699 1/20 0.76
▸ SCN2A Q99250 1/20 0.76
▸ SCN8A Q9UQD0 1/20 0.76

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
Trifluoroacetic Acid SCHEMBL16758965 1.00 SCN9A (0.76) SCN9ASCN5ASCN7ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL16758968 1.00 SCN9A (0.76) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL16770834 0.95 SCN9A (0.83) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17061725 0.95 SCN9A (0.83) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL16770994 0.95 SCN9A (0.83) SCN9ASCN5ASCN7ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL16759014 0.93 SCN9A (0.75) SCN9ASCN5ASCN7ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL28880212 0.93 SCN9A (0.75) SCN9ASCN5ASCN7ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL16758847 0.92 SCN9A (0.77) SCN9ASCN5ASCN7ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL16758845 0.92 SCN9A (0.77) SCN9ASCN5ASCN7ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL16758853 0.92 SCN9A (0.77) SCN9ASCN5ASCN7ASCN2BSCN1A

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 3 patents. 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
EP-3074377-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-10-05 — — EP disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 — — WO disclosed
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