Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30557635

NCC(=O)N1CCn2cnnc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.54
DPP8 Q6V1X1 7/20 0.54
NOTUM Q6P988 2/20 0.40
NAMPT P43490 1/20 0.40
SCN9A Q15858 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CDK1 P06493 1/20 0.36
MYT1 Q01538 1/20 0.36
PARP1 P09874 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL25937534 0.91 DPP4 (0.55) DPP4DPP8NOTUMNAMPTSCN9A
Trifluoroacetic Acid SCHEMBL25429290 0.80 P2RX7 (0.47) DPP4DPP8NAMPTDPP9CDK1
Trifluoroacetic Acid SCHEMBL25430229 0.77 NAMPT (0.39) DPP4DPP8NAMPTSCN9ACDK1
SCHEMBL22054806 0.77 DPP4 (0.50) DPP4DPP8NOTUMNAMPTSCN9A
SCHEMBL14753226 0.76 DPP4 (0.52) DPP4DPP8NOTUMNAMPTCDK1
Trifluoroacetic Acid SCHEMBL28512172 0.76 DPP4 (0.42) DPP4DPP8NOTUMNAMPTSCN9A
SCHEMBL30980046 0.76 NAMPT (0.49) DPP4DPP8NOTUMNAMPTSCN9A
Trifluoroacetic Acid SCHEMBL25427998 0.75 DPP4 (0.58) DPP4DPP8DPP9DPP7
SCHEMBL25428013 0.75 DPP4 (0.48) DPP4DPP8NOTUMNAMPTSCN9A
SCHEMBL22977583 0.74 DPP4 (0.49) DPP4DPP8NOTUMNAMPTSCN9A

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed