Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1702121

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(OC1CN2CCC1CC2)[C@H](Nc1ccccc1)c1ccccc1.O=C(OC1CN2CCC1CC2)[C@H](Nc1ccccc1)c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.56
CHRNA7 P36544 2/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
CHRM2 P08172 5/20 0.50
CHRM1 P11229 5/20 0.50
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CYP2D6 P10635 1/20 0.48
PDE2A O00408 1/20 0.46
PDE6D O43924 1/20 0.46
PDE8A O60658 1/20 0.46
PDE5A O76074 1/20 0.46
PDE9A O76083 1/20 0.46
PDE8B O95263 1/20 0.46
PDE6A P16499 1/20 0.46
PDE6G P18545 1/20 0.46
PDE4A P27815 1/20 0.46
PDE6B P35913 1/20 0.46
PDE6C P51160 1/20 0.46

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
SCHEMBL12071819 0.93 CHRM3 (0.62) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL1695975 0.93 CHRM3 (0.62) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL1695933 0.93 CHRM3 (0.62) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL1695935 0.93 CHRM3 (0.62) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL2486482 0.93 CHRM3 (0.62) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL13240861 0.89 CHRNA7 (0.52) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL2539062 0.89 CHRNA7 (0.52) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL1695691 0.88 CHRM3 (0.57) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL1701362 0.88 CHRM3 (0.57) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL1695689 0.88 CHRM3 (0.57) CHRM3CHRNA7BCHEACHECHRM2

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-2585459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed