Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7989205

COc1ccc2c(c1)CN[C@H](C(=O)N1CCC[C@H]1C#N)C2.O=C(O)C(F)(F)F

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.88
DPP8 Q6V1X1 3/20 0.45
FAP Q12884 2/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
SCHEMBL15827030 0.94 DPP4 (1.00) DPP4DPP8FAPDPP9DPP7
SCHEMBL14392405 0.94 DPP4 (1.00) DPP4DPP8FAPDPP9DPP7
Trifluoroacetic Acid SCHEMBL7978160 0.89 DPP4 (0.69) DPP4DPP8FAPDPP9
SCHEMBL7977740 0.88 DPP4 (0.76) DPP4DPP8FAP
Trifluoroacetic Acid SCHEMBL7977945 0.87 DPP4 (0.66) DPP4DPP8
Trifluoroacetic Acid SCHEMBL7978424 0.86 DPP4 (0.65) DPP4DPP8FAPDPP9
Trifluoroacetic Acid SCHEMBL7992003 0.85 DPP4 (0.62) DPP4DPP8FAPDPP7
SCHEMBL7989092 0.83 DPP4 (0.76) DPP4
SCHEMBL7989090 0.83 DPP4 (0.76) DPP4
SCHEMBL7992389 0.82 DPP4 (0.78) DPP4FAP

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-6172081-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS; NON-INSULIN DEPENDENT DIABETES NOVARTIS AG (CH) 2001-01-09 US disclosed