Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9102535

CC(CN(C(=O)O)C(C)(C)C)Nc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12.NCC(N)Cc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.35
DPP7 Q9UHL4 6/20 0.35
KCNH2 Q12809 1/20 0.34
MAP4K2 Q12851 1/20 0.32
ALPL P05186 1/20 0.31

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 SCHEMBL3607999 0.85 DPP4 (0.41) DPP4DPP7KCNH2ALPL
SCHEMBL4554539 0.76 MAP4K2 (0.38) DPP4MAP4K2ALPL
SCHEMBL10270527 0.76 DPP4 (0.43) DPP4MAP4K2ALPL
Trifluoroacetic Acid SCHEMBL3605360 0.75 DPP4 (0.38) DPP4DPP7KCNH2MAP4K2ALPL
SCHEMBL3603724 0.74 ALPL (0.41) DPP4MAP4K2ALPL
SCHEMBL3605363 0.73 DPP4 (0.35) DPP4DPP7MAP4K2ALPL
Trifluoroacetic Acid SCHEMBL3607995 0.71 DPP4 (0.45) DPP4DPP7KCNH2ALPL
SCHEMBL10269893 0.71 PCSK9 (0.39) MAP4K2ALPL
SCHEMBL3608002 0.70 DPP4 (0.34) DPP4DPP7KCNH2ALPL
Trifluoroacetic Acid SCHEMBL3602860 0.68 DPP4 (0.38) DPP4DPP7KCNH2ALPL

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
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed