Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6617246

COc1nn(-c2cccc(NCc3ccc(OS(=O)(=O)Cc4ccc(F)cc4)cc3)c2)c(=O)o1.O=C(O)C(F)(F)F

nearest known ligand 0.43

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.43
ABHD16A O95870 2/20 0.43
PPARA Q07869 4/20 0.40
FAAH O00519 2/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
SLC2A1 P11166 1/20 0.36
BCHE P06276 1/20 0.36
LIPC P11150 1/20 0.36
ACHE P22303 1/20 0.36
LIPE Q05469 1/20 0.36
TPSAB1 Q15661 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
Trifluoroacetic Acid SCHEMBL6599045 0.81 MGLL (0.48) MGLLABHD16AFAAHBCHELIPC
Trifluoroacetic Acid SCHEMBL6604365 0.81 MGLL (0.46) MGLLABHD16APPARAFAAHPPARG
Trifluoroacetic Acid SCHEMBL6601314 0.80 MGLL (0.48) MGLLABHD16AFAAHBCHELIPC
Trifluoroacetic Acid SCHEMBL6606875 0.80 MGLL (0.50) MGLLABHD16AFAAHBCHELIPC
SCHEMBL7043150 0.77 MGLL (0.63) MGLLABHD16AFAAHBCHELIPC
Trifluoroacetic Acid SCHEMBL6601408 0.77 MGLL (0.55) MGLLABHD16AFAAHBCHELIPC
Trifluoroacetic Acid SCHEMBL6599840 0.76 MGLL (0.48) MGLLABHD16AFAAHEDNRBEDNRA
Trifluoroacetic Acid SCHEMBL6600191 0.76 MGLL (0.48) MGLLABHD16AFAAHEDNRBEDNRA
Trifluoroacetic Acid SCHEMBL6600717 0.75 MGLL (0.52) MGLLABHD16AFAAHBCHELIPC
Trifluoroacetic Acid SCHEMBL6601176 0.74 MGLL (0.50) MGLLABHD16AFAAHBCHELIPC

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-1263745-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA GMBH (DE) 2004-05-19 EP disclosed