Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8513769

NC(C(=O)NC(C(=O)O[C@H]1C[N+]2(CC(=O)c3ccccc3)CCC1CC2)c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.38
CHRM2 P08172 13/20 0.38
CHRM1 P11229 6/20 0.38
NPSR1 Q6W5P4 1/20 0.36

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 SCHEMBL8513771 0.98 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL17667720 0.98 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1
SCHEMBL8513521 0.92 CHRM3 (0.41) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL8512092 0.88 CHRM3 (0.42) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL8512226 0.87 CHRM3 (0.42) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL8512118 0.86 CHRM3 (0.40) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL8509153 0.86 CHRM3 (0.38) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL8512254 0.86 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL2984440 0.86 CHRM3 (0.40) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL8509923 0.85 CHRM3 (0.41) CHRM3CHRM2CHRM1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 EP disclosed
US-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 US disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 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 (1 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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG CHRM3 1/4885CHRM2 4/4885CHRM1 10/4885

“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.