Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5169868

C=CC[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2.O=C([O-])C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 0.55
CHRM1 P11229 20/20 0.55
CHRM3 P20309 20/20 0.55

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
SCHEMBL2816443 0.93 CHRM2 (0.61) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL5169877 0.92 CHRM2 (0.65) CHRM2CHRM1CHRM3
SCHEMBL2816445 0.85 CHRM2 (0.73) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL4091172 0.84 CHRM2 (0.58) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL6080103 0.84 CHRM3 (0.76) CHRM2CHRM1CHRM3
SCHEMBL2816831 0.84 CHRM2 (0.74) CHRM2CHRM1CHRM3
Bromide SCHEMBL5494973 0.83 CHRM2 (0.74) CHRM2CHRM1CHRM3
SCHEMBL2830654 0.83 CHRM3 (0.58) CHRM2CHRM1CHRM3
SCHEMBL6229451 0.82 CHRM2 (0.64) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL6079104 0.82 CHRM2 (0.53) 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 4 patents. 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
EP-1345937-B1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-09-28 EP claimed
EP-1781651-A1 PROCESS FOR PREPARING QUINUCLIDINIUM CARBAMATE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-05-09 EP disclosed
WO-2006010452-A1 PROCESS FOR PREPARING QUINUCLIDINIUM CARBAMATE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-02-02 WO disclosed