Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6823560

N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.40
▸ DPP7 Q9UHL4 7/20 0.39
▸ AKT1 P31749 8/20 0.38
▸ AKT1S1 Q96B36 1/20 0.38
▸ DPP8 Q6V1X1 3/20 0.37
▸ DPP9 Q86TI2 3/20 0.37
▸ AKT2 P31751 2/20 0.37
▸ AKT3 Q9Y243 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.35

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 SCHEMBL6824605 0.99 DPP4 (0.40) DPP4DPP7AKT1AKT1S1DPP8
SCHEMBL21794988 0.91 AKT1 (0.39) DPP4DPP7AKT1AKT1S1DPP8
SCHEMBL6824742 0.90 DPP7 (0.40) DPP4DPP7AKT1AKT1S1DPP8
Histidine SCHEMBL29740915 0.82 GRB2 (0.46) —
SCHEMBL21419830 0.80 ARG1 (0.38) AKT1AKT1S1HDAC8
SCHEMBL7831182 0.79 DPP7 (0.41) DPP4DPP7AKT1AKT1S1DPP8
SCHEMBL8200272 0.79 DPP7 (0.41) DPP4DPP7AKT1AKT1S1DPP8
SCHEMBL28871462 0.78 ITGB3 (0.39) DPP4DPP8DPP9
SCHEMBL28287442 0.78 ITGB3 (0.39) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6164842 0.78 DPP7 (0.41) DPP4DPP7AKT1AKT1S1DPP8

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
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