Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21052199

C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2.O=C([O-])C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 1.00
CHRM2 P08172 13/20 1.00
CHRM1 P11229 13/20 1.00
CYP2D6 P10635 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45

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 SCHEMBL21052499 0.83 CHRM3 (1.00) CHRM3CHRM2CHRM1
Iodide SCHEMBL9048201 0.81 CHRM3 (0.83) CHRM3CHRM2CHRM1CYP2D6CHRM4
Formic Acid SCHEMBL21052228 0.79 CHRM3 (0.73) CHRM3CHRM2CHRM1
Formic Acid SCHEMBL21052204 0.77 CHRM2 (0.71) CHRM3CHRM2CHRM1CYP2D6CHRM4
SCHEMBL13398950 0.74 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL22484503 0.74 CHRM3 (1.00) CHRM3CHRM2CHRM1
Bromide SCHEMBL5105779 0.73 CHRM3 (0.70) CHRM3CHRM2CHRM1
Bromide SCHEMBL5105777 0.73 CHRM3 (0.70) CHRM3CHRM2CHRM1
SCHEMBL13399626 0.72 CHRM2 (0.59) CHRM3CHRM2CHRM1CYP2D6CHRM4
SCHEMBL9050182 0.71 CHRM3 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US claimed
EP-3720852-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-14 EP disclosed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US disclosed
WO-2019110521-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-06-13 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 (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-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 CHRM3 2/4885CHRM2 1/4885CHRM1 4/4885

“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.