Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6990644

O=C(O)C(F)(F)F.O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccsc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.78
CHRM2 P08172 19/20 0.78
CHRM1 P11229 19/20 0.78

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 SCHEMBL6080103 0.95 CHRM3 (0.76) CHRM3CHRM2CHRM1
SCHEMBL2815761 0.95 CHRM2 (0.85) CHRM3CHRM2CHRM1
Bromide SCHEMBL5494567 0.95 CHRM2 (0.86) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL6080109 0.88 CHRM2 (0.88) CHRM3CHRM2CHRM1
SCHEMBL2832641 0.88 CHRM2 (0.81) CHRM3CHRM2CHRM1
SCHEMBL2816171 0.88 CHRM2 (1.00) CHRM3CHRM2CHRM1
SCHEMBL2815763 0.87 CHRM2 (1.00) CHRM3CHRM2CHRM1
Bromide SCHEMBL5486390 0.87 CHRM2 (1.00) CHRM3CHRM2CHRM1
Bromide SCHEMBL5494569 0.87 CHRM2 (1.00) CHRM3CHRM2CHRM1
SCHEMBL2818760 0.84 CHRM3 (0.85) CHRM3CHRM2CHRM1

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-1345937-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2003-09-24 EP disclosed
WO-2002051841-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-04 WO disclosed