Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7211674

O=C(OC12CC[N+](CCCc3cccs3)(CC1)CC2)[C@](O)(c1ccccc1)C1CCCCC1.O=C(O[C@@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.57
CHRM2 P08172 16/20 0.57
CHRM1 P11229 10/20 0.57

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 SCHEMBL1233205 0.89 CHRM3 (0.61) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234794 0.89 CHRM3 (0.61) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234780 0.88 CHRM3 (0.73) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234902 0.88 CHRM3 (0.73) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234260 0.88 CHRM3 (0.73) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1233380 0.87 CHRM3 (0.41) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234786 0.87 CHRM3 (0.70) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234071 0.87 CHRM3 (0.70) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1233366 0.87 CHRM3 (0.70) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1234869 0.84 CHRM3 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353919-A2 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2003-10-22 EP disclosed
WO-2002053564-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-11 WO disclosed