Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1233673

O=C(O[C@H]1C[N+]2(CCCOc3ccc(F)cc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1.O=C([O-])C(F)(F)F

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.80
CHRM2 P08172 14/20 0.80
CHRM1 P11229 13/20 0.80
CHRM4 P08173 2/20 0.63
CHRM5 P08912 2/20 0.63
ADRA2A P08913 2/20 0.63
ADRA2C P18825 2/20 0.63
TACR1 P25103 2/20 0.63
ADRA1A P35348 2/20 0.63
HRH1 P35367 2/20 0.63
OPRK1 P41145 2/20 0.63
KCNH2 Q12809 2/20 0.63

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 SCHEMBL1234741 1.00 CHRM3 (0.80) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5976724 0.95 CHRM3 (0.87) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5977779 0.95 CHRM3 (0.87) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1234270 0.94 CHRM3 (0.88) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1233378 0.94 CHRM3 (0.88) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1233227 0.93 CHRM3 (0.79) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1233201 0.93 CHRM3 (0.83) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1234235 0.93 CHRM3 (0.78) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1234838 0.91 CHRM3 (0.75) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1234910 0.91 CHRM3 (0.82) CHRM3CHRM2CHRM1CHRM4CHRM5

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893087-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-22 US claimed
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME PRAT QUINONES MARIA 2010-09-16 US claimed
US-20070129398-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2007-06-07 US claimed
US-20070105897-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2007-05-10 US claimed
US-7122558-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL PRODESFARMA AG (CH) 2006-10-17 US claimed
EP-1353919-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2006-07-26 EP claimed
US-20040072863-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2004-04-15 US claimed
EP-1353919-A2 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2003-10-22 EP claimed
WO-2002053564-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-11 WO claimed
US-7893087-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-22 US disclosed
US-7879874-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-01 US disclosed
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME PRAT QUINONES MARIA 2010-09-16 US disclosed
US-20070129398-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2007-06-07 US disclosed
US-20070105897-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2007-05-10 US disclosed
US-7122558-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL PRODESFARMA AG (CH) 2006-10-17 US disclosed
EP-1353919-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2006-07-26 EP disclosed
US-20040072863-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2004-04-15 US disclosed
EP-1353919-A2 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2003-10-22 EP disclosed
WO-2002053564-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070129398-A1 Novel quinuclidine derivatives and medicinal compositions containing the same NR0B1, NR2C2, NR1I3 CHRM3 15/4885CHRM2 35/4885CHRM1 41/4885
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR0B1, NR4A1, NR0B2 CHRM3 12/4885CHRM2 28/4885CHRM1 26/4885
US-20040072863-A1 Novel quinuclidine derivatives and medicinal compositions containing the same CYP11B1, CYP3A7, CBR1 CHRM3 26/4885CHRM2 36/4885CHRM1 23/4885
US-20070105897-A1 Novel quinuclidine derivatives and medicinal compositions containing the same NR0B1, NR4A1, NR0B2 CHRM3 9/4885CHRM2 28/4885CHRM1 23/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.