Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2211245

NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.63
KCNK3 O14649 1/20 0.57
KCNK5 O95279 1/20 0.57
KCNK17 Q96T54 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
AKR1B1 P15121 1/20 0.44
GSK3B P49841 1/20 0.42
MAPT P10636 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MET P08581 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL2204592 0.93 KCNA5 (0.67) KCNA5KCNK3KCNK5KCNK17KCNK9
Trifluoroacetic Acid SCHEMBL5697891 0.83 KCNA5 (0.51) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434044 0.79 KCNA5 (0.74) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434391 0.78 KCNA5 (0.83) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL2208881 0.78 KCNA5 (0.70) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL2208671 0.77 KCNA5 (1.00) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434042 0.77 KCNA5 (0.71) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434022 0.76 KCNA5 (0.70) KCNA5KCNK3KCNK5KCNK17KCNK9
Trifluoroacetic Acid SCHEMBL4243585 0.76 IDO1 (0.44) GSK3BMAOBALDH1A1
SCHEMBL12434333 0.76 KCNA5 (0.69) KCNA5KCNK3KCNK5KCNK17KCNK9

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
US-7982045-B2 2′-substituted 1,1′-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-19 US disclosed