Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6824630

N[C@@H](CC(=O)O)C(=O)N1CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 15/20 0.43
DPP4 P27487 11/20 0.43
DPP7 Q9UHL4 12/20 0.42
DPP9 Q86TI2 2/20 0.40

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
SCHEMBL30357425 0.89 DPP4 (0.50) DPP8DPP4DPP7
Trifluoroacetic Acid SCHEMBL6824583 0.89 DPP8 (0.44) DPP8DPP4DPP7DPP9
SCHEMBL16310466 0.88 DPP4 (0.49) DPP8DPP4DPP7
SCHEMBL3346333 0.88 DPP4 (0.49) DPP8DPP4DPP7
Trifluoroacetic Acid SCHEMBL6820631 0.85 DPP8 (0.44) DPP8DPP4DPP7DPP9
Trifluoroacetic Acid SCHEMBL6820639 0.83 DPP4 (0.45) DPP8DPP4DPP7DPP9
Trifluoroacetic Acid SCHEMBL6824636 0.83 DPP4 (0.45) DPP8DPP4DPP7DPP9
Trifluoroacetic Acid SCHEMBL6824315 0.82 DPP8 (0.48) DPP8DPP4DPP7DPP9
SCHEMBL435439 0.82 DPP4 (0.49) DPP8DPP4DPP7DPP9
Trifluoroacetic Acid SCHEMBL6826281 0.81 DPP4 (0.49) DPP8DPP4DPP7DPP9

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
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed