Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4102171

N#CC1CCCN1C(=O)C(N)Cc1c[nH]c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.59
DPP8 Q6V1X1 15/20 0.59
DPP9 Q86TI2 13/20 0.59
DPP7 Q9UHL4 11/20 0.59
FAP Q12884 10/20 0.48

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
Trifluoroacetic Acid SCHEMBL4159848 1.00 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP
SCHEMBL4171016 0.95 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL4171014 0.95 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL4108438 0.95 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL8248410 0.87 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL4168303 0.87 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL4167916 0.87 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL13803837 0.86 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL13804096 0.86 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
SCHEMBL4160015 0.85 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912706-A4 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS AURIGENE DISCOVERY TECHNOLOGIE (IN) 2009-05-27 EP disclosed
EP-1912706-A2 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS Aurigene Discovery Technologies Limited (IN) 2008-04-23 EP disclosed
WO-2006134613-A2 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2006-12-21 WO disclosed