Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4091172

C=CC[N+]12CCC(CC1)[C@@H](OC(=O)N(CCc1ccccc1)c1ccccc1)C2.O=C([O-])C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 0.58
CHRM1 P11229 20/20 0.58
CHRM3 P20309 20/20 0.58
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49

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
SCHEMBL2832575 0.93 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL5169877 0.86 CHRM2 (0.65) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL5488371 0.85 CHRM2 (0.71) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL5169868 0.84 CHRM2 (0.55) CHRM2CHRM1CHRM3
SCHEMBL2816831 0.83 CHRM2 (0.74) CHRM2CHRM1CHRM3
Bromide SCHEMBL5494973 0.82 CHRM2 (0.74) CHRM2CHRM1CHRM3
SCHEMBL2831652 0.82 CHRM2 (0.60) CHRM2CHRM1CHRM3
SCHEMBL2830411 0.81 CHRM3 (0.62) CHRM2CHRM1CHRM3
SCHEMBL2819254 0.81 CHRM2 (0.73) CHRM2CHRM1CHRM3
SCHEMBL6229872 0.80 CHRM2 (0.75) CHRM2CHRM1CHRM3CHRM4CHRM5

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
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US 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 (2 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885

“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.