Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4232770

C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCN(C6CC[N+](C)(C)CC6)CC5)c4)ccc3F)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCN(C6CC[N+](C)(C)CC6)CC5)c4)ccc3F)c2)CCN1.O=C([O-])C(F)(F)F.[I-]

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 known ✓ P11229 5/20 0.85
▸ CHRM3 known ✓ P20309 18/20 0.78
▸ CHRM2 P08172 5/20 0.85
▸ KCNH2 Q12809 1/20 0.67

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 SCHEMBL4232767 0.96 CHRM3 (0.79) CHRM2CHRM1CHRM3KCNH2
SCHEMBL13805503 0.95 CHRM2 (0.85) CHRM2CHRM1CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL4232784 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL4241251 0.91 CHRM2 (0.87) CHRM2CHRM1CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL4232783 0.90 CHRM2 (0.96) CHRM2CHRM1CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL4232313 0.90 CHRM2 (0.95) CHRM2CHRM1CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL4241248 0.89 CHRM2 (0.84) CHRM2CHRM1CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL4232311 0.88 CHRM2 (0.91) CHRM2CHRM1CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL4235060 0.88 CHRM2 (0.89) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL4240137 0.88 CHRM2 (0.81) CHRM2CHRM1CHRM3KCNH2

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-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 — — US claimed
EP-1827439-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-09-05 — — EP claimed
WO-2006055503-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-05-26 — — WO claimed
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 — — 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-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 CHRM1 8/4885CHRM3 1/4885CHRM2 2/4885

“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.

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