Acetone

Acetone

SCHEMBL4628352

CC(C)=O.N#CCC(Cl)Cl

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.32
LMNA P02545 1/20 0.32

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
Acetic Acid SCHEMBL5897975 0.92 FFAR3 (0.35) MCL1LMNA
Methyl Alcohol SCHEMBL3490957 0.86
Water SCHEMBL16146969 0.83
SCHEMBL141108 0.83
Acetonitrile SCHEMBL4028413 0.80
Acetonitrile SCHEMBL8026268 0.80 TSHR (0.32)
Methylene Chloride SCHEMBL8805297 0.77
Methylene Chloride SCHEMBL7701261 0.77 CYP3A4 (0.35)
Methylene Chloride SCHEMBL7211677 0.77 CYP3A4 (0.35)
Methylene Chloride SCHEMBL2207208 0.77 CYP3A4 (0.35)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723096-A4 STRUCTURED TRIGLYCERIDES AND EMULSIONS COMPRISING SAME HTL HIGH TECH LIPIDS LTD (IL) 2008-03-05 EP disclosed
EP-1723096-A2 STRUCTURED TRIGLYCERIDES AND EMULSIONS COMPRISING SAME HTL High-Tech Lipids Ltd. (IL) 2006-11-22 EP disclosed
WO-2005084129-A2 STRUCTURED TRIGLYCERIDES AND EMULSIONS COMPRISING SAME HTL HIGH-TECH LIPIDS LTD. (IL) 2005-09-15 WO disclosed