Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6603532

COc1nn(-c2cccc(NCc3cc4ccccc4nc3Cl)c2)c(=O)o1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.46
FAAH O00519 4/20 0.41
ABHD16A O95870 2/20 0.40
CARM1 Q86X55 1/20 0.38
LIPC P11150 2/20 0.37
LIPE Q05469 2/20 0.37
LPL P06858 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALPG P10696 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABHD6 Q9BV23 1/20 0.35

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 SCHEMBL6601368 0.93 MGLL (0.43) MGLLFAAHABHD16ALIPCLIPE
Trifluoroacetic Acid SCHEMBL6606875 0.80 MGLL (0.50) MGLLFAAHABHD16ACARM1LIPC
Trifluoroacetic Acid SCHEMBL6600191 0.80 MGLL (0.48) MGLLFAAHABHD16ACARM1LIPC
Trifluoroacetic Acid SCHEMBL6599840 0.79 MGLL (0.48) MGLLFAAHABHD16ALIPCLIPE
Trifluoroacetic Acid SCHEMBL6599045 0.79 MGLL (0.48) MGLLFAAHABHD16ACARM1LIPC
Trifluoroacetic Acid SCHEMBL6601314 0.79 MGLL (0.48) MGLLFAAHABHD16ACARM1LIPC
Trifluoroacetic Acid SCHEMBL6600717 0.78 MGLL (0.52) MGLLFAAHABHD16ACARM1LIPC
Trifluoroacetic Acid SCHEMBL6601602 0.77 MGLL (0.50) MGLLFAAHABHD16ACARM1LIPC
Trifluoroacetic Acid SCHEMBL6601176 0.77 MGLL (0.50) MGLLFAAHABHD16ACARM1LIPC
Trifluoroacetic Acid SCHEMBL6604365 0.77 MGLL (0.46) MGLLFAAHABHD16ALIPCLIPE

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