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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6386972

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(OC(C)=O)c(=O)n2CCOCC.O=C(O)C(F)(F)F

nearest known ligand 0.51

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 0.51
▸ FAP Q12884 5/20 0.43
▸ DPP9 Q86TI2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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 SCHEMBL6382228 0.94 DPP4 (0.51) DPP4FAPDPP9ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5718899 0.91 DPP4 (0.57) DPP4FAPDPP9ALDH1A1SMN1; SMN2
Acetic Acid Methyl Ester SCHEMBL5719301 0.91 DPP4 (0.50) DPP4FAPDPP9
Trifluoroacetic Acid SCHEMBL5719306 0.91 DPP4 (0.64) DPP4FAPDPP9ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5719516 0.87 DPP4 (0.64) DPP4FAPDPP9ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5719303 0.86 DPP4 (0.51) DPP4FAPDPP9ALDH1A1
Trifluoroacetic Acid SCHEMBL5718825 0.86 DPP4 (0.51) DPP4FAPDPP9ALDH1A1
Acetic Acid Methyl Ester SCHEMBL5718823 0.85 DPP4 (0.50) DPP4FAPDPP9
Trifluoroacetic Acid SCHEMBL6383569 0.85 DPP4 (0.65) DPP4FAPDPP9ALDH1A1
Trifluoroacetic Acid SCHEMBL5719362 0.83 DPP4 (0.49) DPP4FAPDPP9ALDH1A1

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-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 — — EP disclosed