Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5488371

O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(CCc1ccccc1)c1ccccc1.O=C([O-])C(F)(F)F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 0.71
CHRM1 P11229 20/20 0.71
CHRM3 P20309 20/20 0.71

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
SCHEMBL2816384 0.93 CHRM2 (0.82) CHRM2CHRM1CHRM3
Bromide SCHEMBL6079001 0.92 CHRM2 (0.82) CHRM2CHRM1CHRM3
SCHEMBL2829593 0.89 CHRM2 (0.74) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL4091172 0.85 CHRM2 (0.58) CHRM2CHRM1CHRM3
SCHEMBL2812991 0.84 CHRM2 (1.00) CHRM2CHRM1CHRM3
SCHEMBL2829053 0.83 CHRM3 (0.69) CHRM2CHRM1CHRM3
Bromide SCHEMBL5490832 0.83 CHRM2 (1.00) CHRM2CHRM1CHRM3
SCHEMBL2828287 0.83 CHRM2 (0.85) CHRM2CHRM1CHRM3
SCHEMBL2831978 0.82 CHRM2 (0.67) CHRM2CHRM1CHRM3
SCHEMBL2813261 0.81 CHRM2 (1.00) CHRM2CHRM1CHRM3

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-7208501-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-24 US claimed