Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8584075

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CNc2ncc[nH]2)cc1)C(=O)C(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 19/20 0.36

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 SCHEMBL649619 0.85 NPY1R (0.43) NPY1R
Trifluoroacetic Acid SCHEMBL7045238 0.85 NPY1R (0.43) NPY1R
Iodide SCHEMBL8585363 0.84 NPY1R (0.37) NPY1R
Trifluoroacetic Acid SCHEMBL7043313 0.84 NPY1R (0.44) NPY1R
Trifluoroacetic Acid SCHEMBL9199026 0.83 NPY1R (0.38) NPY1R
SCHEMBL8112600 0.83 ITGB3 (0.33) —
Trifluoroacetic Acid SCHEMBL8526213 0.83 TPSAB1 (0.45) NPY1R
Trifluoroacetic Acid SCHEMBL8528160 0.82 NPY1R (0.37) NPY1R
Trifluoroacetic Acid SCHEMBL7044926 0.82 NPY1R (0.42) NPY1R
Trifluoroacetic Acid SCHEMBL8525691 0.82 NPY1R (0.39) NPY1R

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO disclosed
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