Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5722189

NCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.89

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
SCHEMBL1190097 0.94 CHRM3 (1.00) CHRM3
Hydrochloric Acid SCHEMBL1922873 0.93 CHRM3 (0.98) CHRM3
SCHEMBL13590343 0.89 CHRM3 (0.90) CHRM3
SCHEMBL13590462 0.89 CHRM3 (0.90) CHRM3
SCHEMBL13590186 0.89 CHRM3 (0.90) CHRM3
SCHEMBL13590412 0.89 CHRM3 (0.90) CHRM3
SCHEMBL13590176 0.89 CHRM3 (0.90) CHRM3
SCHEMBL13590397 0.89 CHRM3 (0.90) CHRM3
SCHEMBL13590261 0.89 CHRM3 (0.90) CHRM3
SCHEMBL13590162 0.88 CHRM3 (0.89) CHRM3

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
EP-1685118-A2 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance, Inc. (US) 2006-08-02 EP disclosed
WO-2005080375-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND THERAVANCE, INC. (US) 2005-09-01 WO disclosed
WO-2005051946-A2 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2005-06-09 WO disclosed