Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17423118

O=C(O)C(F)(F)F.O=C(O)C1CCCN1C(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 10/20 0.47
▸ SCN7A Q01118 3/20 0.36
▸ SCN5A Q14524 3/20 0.36
▸ ADRB2 P07550 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SCN1A P35498 1/20 0.32
▸ SCN4A P35499 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32

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 SCHEMBL19064935 1.00 SCN9A (0.47) SCN9ASCN7ASCN5AADRB2EPHX2
SCHEMBL17428303 0.98 SCN9A (0.48) SCN9ASCN7ASCN5AADRB2EPHX2
SCHEMBL17423024 0.98 SCN9A (0.48) SCN9ASCN7ASCN5AADRB2EPHX2
Trifluoroacetic Acid SCHEMBL19064795 0.91 SCN9A (0.53) SCN9ASCN7ASCN5AKCNH2
SCHEMBL19064757 0.88 SCN9A (0.46) SCN9ASCN7ASCN5AADRB2EPHX2
SCHEMBL17428683 0.88 SCN9A (0.46) SCN9ASCN7ASCN5AADRB2EPHX2
SCHEMBL17428435 0.88 SCN9A (0.55) SCN9ASCN7ASCN5AKCNH2
SCHEMBL19084006 0.87 SCN9A (0.44) SCN9ASCN7ASCN5AEPHX2
SCHEMBL19084009 0.87 SCN9A (0.44) SCN9ASCN7ASCN5AEPHX2
SCHEMBL21075343 0.85 SCN9A (0.52) SCN9ASCN7ASCN5AADRB2EPHX2

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-3166939-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2017-05-17 — — EP disclosed
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 — — WO disclosed
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