Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3391046

CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4ncccc4s3)cc2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.60
CSGALNACT1 Q8TDX6 2/20 0.60
PDE10A Q9Y233 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1761824 0.95 DGAT1 (0.64) DGAT1CSGALNACT1PDE10ANPSR1
Trifluoroacetic Acid SCHEMBL1761714 0.88 DGAT1 (0.51) DGAT1CSGALNACT1NPSR1
SCHEMBL3391052 0.88 DGAT1 (0.50) DGAT1CSGALNACT1PDE10A
Trifluoroacetic Acid SCHEMBL3387514 0.86 DGAT1 (0.60) DGAT1CSGALNACT1
SCHEMBL1761936 0.83 DGAT1 (0.55) DGAT1CSGALNACT1NPSR1
Trifluoroacetic Acid SCHEMBL3389655 0.82 DGAT1 (0.65) DGAT1CSGALNACT1
SCHEMBL12648322 0.81 DGAT1 (0.47) DGAT1CSGALNACT1PDE10A
SCHEMBL1761505 0.80 DGAT1 (0.75) DGAT1CSGALNACT1PDE10A
SCHEMBL1761825 0.80 DGAT1 (0.75) DGAT1CSGALNACT1PDE10A
SCHEMBL1762006 0.80 DGAT1 (0.64) DGAT1CSGALNACT1NPSR1

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
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed