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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9107682

CNC(=O)Nc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)N)CCc3ccccc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.63

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.63
▸ AGTR1 P30556 1/20 0.63
▸ XIAP P98170 9/20 0.53
▸ NPY1R P25929 4/20 0.51
▸ SCN9A Q15858 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.44

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
SCHEMBL7786014 0.96 GHSR (0.68) GHSRAGTR1XIAPNPY1R
Trifluoroacetic Acid SCHEMBL8331770 0.92 GHSR (0.60) GHSRAGTR1XIAPNPY1RSCN9A
Trifluoroacetic Acid SCHEMBL8330675 0.91 GHSR (0.64) GHSRAGTR1XIAPNPY1RSCN9A
Trifluoroacetic Acid SCHEMBL8331130 0.91 GHSR (0.59) GHSRAGTR1XIAPNPY1RSCN9A
SCHEMBL7794335 0.90 GHSR (0.66) GHSRAGTR1XIAPNPY1R
SCHEMBL7785737 0.90 GHSR (0.68) GHSRAGTR1XIAPNPY1R
SCHEMBL7785919 0.90 GHSR (0.68) GHSRAGTR1XIAPNPY1R
SCHEMBL7786538 0.89 GHSR (0.71) GHSRAGTR1XIAPNPY1R
SCHEMBL7792079 0.89 GHSR (0.56) GHSRAGTR1XIAPNPY1R
SCHEMBL7791779 0.89 GHSR (0.57) GHSRAGTR1XIAPNPY1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430144-A E.g, N-(1-((2'-((methoxycarbonyl)amino)(1,1'-biphenyl)-4-yl) methyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-3 ((fur-2-yl)methyl)amino-3-methylbutanamide MERCK & CO., INC. (US) 1995-07-04 — — US disclosed