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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6826281

NCC[C@H](N)C(=O)N1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.49

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.49
▸ DPP8 Q6V1X1 5/20 0.49
▸ DPP7 Q9UHL4 13/20 0.49
▸ FAP Q12884 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 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
Trifluoroacetic Acid SCHEMBL6823789 1.00 DPP4 (0.49) DPP4DPP8DPP7FAPDPP9
Trifluoroacetic Acid SCHEMBL6824018 0.91 DPP7 (0.51) DPP4DPP8DPP7FAPDPP9
Trifluoroacetic Acid SCHEMBL6826306 0.90 DPP7 (0.52) DPP4DPP8DPP7FAPDPP9
Trifluoroacetic Acid SCHEMBL6820622 0.90 DPP7 (0.52) DPP4DPP8DPP7FAPDPP9
SCHEMBL1063045 0.88 DPP7 (0.59) DPP4DPP8DPP7FAPDPP9
SCHEMBL6820919 0.88 DPP7 (0.59) DPP4DPP8DPP7FAPDPP9
SCHEMBL1063047 0.88 DPP7 (0.59) DPP4DPP8DPP7FAPDPP9
Trifluoroacetic Acid SCHEMBL6820916 0.88 DPP7 (0.54) DPP4DPP8DPP7FAPDPP9
Trifluoroacetic Acid SCHEMBL6820639 0.87 DPP4 (0.45) DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL6826242 0.86 DPP4 (0.48) DPP4DPP8DPP7DPP9

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