Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3357798

CN1CCC[C@H]1COc1cncc(-c2cccc(CCCO)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.62
CHRNA3 P32297 16/20 0.62
CHRNB3 Q05901 16/20 0.62
CHRNB1 P11230 15/20 0.62
CHRNB4 P30926 15/20 0.62
JAK2 O60674 1/20 0.55
CHRNA4 P43681 2/20 0.54
CHRNA6 Q15825 1/20 0.54

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 SCHEMBL3357946 0.95 CHRNB2 (0.54) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL3356800 0.92 CHRNB2 (0.69) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL3357800 0.88 CHRNB2 (0.59) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL13307472 0.87 CHRNB2 (0.60) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL2211869 0.87 CHRNB2 (0.60) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL13307536 0.87 CHRNB2 (0.72) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL3358759 0.87 CHRNB2 (0.72) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL3355332 0.87 CHRNB2 (0.72) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL7927448 0.87 CHRNB2 (0.60) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4
SCHEMBL13307540 0.84 CHRNB2 (0.67) CHRNB2CHRNA3CHRNB3CHRNB1CHRNB4

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
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA3 6/4885CHRNB3 14/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA3 6/4885CHRNB3 14/4885

“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.