Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7970942

CC(C)N1CCN(C(C)C)C1F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 19/20 0.37
DPP4 P27487 18/20 0.37
DPP8 Q6V1X1 7/20 0.36
DPP9 Q86TI2 4/20 0.35
KCNH2 Q12809 1/20 0.33

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
SCHEMBL27496450 0.80 L3MBTL1 (0.32)
Trifluoroacetic Acid SCHEMBL7957774 0.72 DPP7 (0.33) DPP7DPP4DPP8DPP9KCNH2
Trifluoroacetic Acid SCHEMBL5039061 0.72 DPP7 (0.40) DPP7DPP4DPP8DPP9KCNH2
Trifluoroacetic Acid SCHEMBL20522822 0.71 DPP4 (0.34) DPP7DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL20522810 0.71 DPP4 (0.34) DPP7DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL20528076 0.71 DPP4 (0.34) DPP7DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL2263688 0.69 CHRNA7 (0.38) DPP7DPP4KCNH2
Trifluoroacetic Acid SCHEMBL27714775 0.67 TP53 (0.44) DPP7DPP4DPP8
Trifluoroacetic Acid SCHEMBL3140803 0.67 TP53 (0.44) DPP7DPP4DPP8
SCHEMBL18631760 0.67 MAPT (0.36)

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
US-6222046-B1 AS TRIFLUOROACETOXYLATION AGENT MITSUI CHEMICALS, INC. (JP) 2001-04-24 US disclosed
EP-0982299-A1 Tetraalkylfluoroformamidinium trifluoroacetate and its use as trifluoroacetoxylation agent Mitsui Chemicals, Inc. (JP) 2000-03-01 EP disclosed