Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5781355

N[C@@H](CC(=O)N1CCOC[C@H]1Cc1ccccc1)Cc1ccc(F)c(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.70
▸ KCNH2 Q12809 1/20 0.52
▸ DPP7 Q9UHL4 11/20 0.51
▸ DPP8 Q6V1X1 3/20 0.45
▸ DPP9 Q86TI2 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
SCHEMBL5417462 0.95 DPP4 (0.76) DPP4KCNH2DPP7DPP8
SCHEMBL5407479 0.82 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL17275232 0.72 DPP4 (0.55) DPP4
SCHEMBL5487719 0.71 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL1068220 0.70 DPP4 (0.51) DPP4DPP7DPP8DPP9
SCHEMBL1068219 0.70 DPP4 (0.51) DPP4DPP7DPP8DPP9
SCHEMBL8289171 0.70 DPP4 (0.77) DPP4KCNH2DPP7DPP8DPP9
SCHEMBL14646637 0.69 DPP4 (0.57) DPP4
SCHEMBL14645771 0.69 DPP4 (0.57) DPP4
SCHEMBL14646674 0.69 FKBP1A (0.58) DPP4

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-1406622-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2006-02-22 — — EP disclosed
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