Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3389655

CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4cnccc4s3)cc2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.65
CSGALNACT1 Q8TDX6 2/20 0.65
SCD O00767 1/20 0.37

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
SCHEMBL1762011 0.95 DGAT1 (0.69) DGAT1CSGALNACT1SCD
Trifluoroacetic Acid SCHEMBL1761434 0.88 DGAT1 (0.55) DGAT1CSGALNACT1
SCHEMBL3389661 0.88 DGAT1 (0.54) DGAT1CSGALNACT1SCD
SCHEMBL1762153 0.83 DGAT1 (0.59) DGAT1CSGALNACT1SCD
Trifluoroacetic Acid SCHEMBL3387514 0.82 DGAT1 (0.60) DGAT1CSGALNACT1
Trifluoroacetic Acid SCHEMBL3391046 0.82 DGAT1 (0.60) DGAT1CSGALNACT1
SCHEMBL1761505 0.82 DGAT1 (0.75) DGAT1CSGALNACT1SCD
SCHEMBL1761825 0.82 DGAT1 (0.75) DGAT1CSGALNACT1SCD
SCHEMBL1761544 0.81 DGAT1 (0.80) DGAT1CSGALNACT1SCD
SCHEMBL12648321 0.81 DGAT1 (0.51) DGAT1CSGALNACT1SCD

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