Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6228010

O=C(O)C(F)(F)F.O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(CC1CCCC1)c1cccs1

nearest known ligand 0.59

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.59
▸ CHRM2 P08172 19/20 0.59
▸ CHRM1 P11229 17/20 0.59

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
SCHEMBL2815068 0.95 CHRM2 (0.64) CHRM3CHRM2CHRM1
SCHEMBL2835104 0.85 CHRM2 (0.76) CHRM3CHRM2CHRM1
SCHEMBL2816829 0.83 CHRM2 (0.77) CHRM3CHRM2CHRM1
SCHEMBL5007160 0.82 CHRM2 (0.67) CHRM3CHRM2CHRM1
SCHEMBL5007142 0.82 CHRM2 (0.63) CHRM3CHRM2CHRM1
SCHEMBL2818760 0.80 CHRM3 (0.85) CHRM3CHRM2CHRM1
Bromide SCHEMBL4080634 0.80 CHRM2 (0.64) CHRM3CHRM2CHRM1
Bromide SCHEMBL5493206 0.80 CHRM3 (0.85) CHRM3CHRM2CHRM1
SCHEMBL2832549 0.78 CHRM3 (0.47) CHRM3CHRM2CHRM1
SCHEMBL2835107 0.78 CHRM2 (0.91) 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
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 — — EP disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 — — WO disclosed
EP-1345937-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2003-09-24 — — EP disclosed
WO-2002051841-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-04 — — WO disclosed