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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7549610

COn1c(-c2ccc(C(C)(C)C)cc2)c(CCN)c2c(S(=O)(=O)c3cccs3)cccc21.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ SCN5A Q14524 1/20 0.30
▸ SCN9A Q15858 1/20 0.30

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 SCHEMBL7397740 0.72 MALT1 (0.31) TP53KDM4EALDH1A1GAAMAPT
Trifluoroacetic Acid SCHEMBL7320899 0.71 SERPINE1 (0.33) TP53ALDH1A1MAPTSCN5ASCN9A
Trifluoroacetic Acid SCHEMBL2655268 0.58 F2 (0.45) ALDH1A1
Trifluoroacetic Acid SCHEMBL6177349 0.58 HTR6 (0.47) —
Trifluoroacetic Acid SCHEMBL4018278 0.57 FABP4 (0.44) MAPT
SCHEMBL5539744 0.56 LOX (0.44) KDM4EALDH1A1
SCHEMBL22928145 0.54 CCR2 (0.45) TP53KDM4EALDH1A1GAAMAPT
Trifluoroacetic Acid SCHEMBL7654076 0.54 SLC1A3 (0.54) TP53ALDH1A1MAPT
SCHEMBL28678563 0.53 MAPT (0.61) TP53KDM4EALDH1A1GAAMAPT
Trifluoroacetic Acid SCHEMBL28095188 0.53 DAO (0.42) ALDH1A1GAAMAPT

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
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 — — WO disclosed