Acetone

Acetone

SCHEMBL11295484

CC(C)=O.CC(C)=O.CCCCC(N)(N)C(C)=O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.45
SMPD1 P17405 4/20 0.38
CES1 P23141 3/20 0.36
CES2 O00748 4/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 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
SCHEMBL1714767 0.98 FDPS (0.46) FDPSSMPD1CES1CES2ALDH1A1
SCHEMBL27916871 0.91 FDPS (0.48) FDPSSMPD1CES2
SCHEMBL9067900 0.80 FDPS (0.48) FDPSSMPD1CES1CES2
SCHEMBL29194351 0.78 FFAR1 (0.53) FDPS
SCHEMBL28912308 0.78 FDPS (0.42) FDPSSMPD1CES2
SCHEMBL7259933 0.78 FDPS (0.46) FDPSSMPD1CES1CES2MEN1
SCHEMBL288685 0.78 FDPS (0.46) FDPSSMPD1ALDH1A1MEN1CYP1A2
SCHEMBL29194354 0.77 FFAR1 (0.51) FDPSSMPD1
SCHEMBL15315407 0.76 PAOX (0.44) FDPSSMPD1ALDH1A1MEN1THRB
Hydrochloric Acid SCHEMBL28391923 0.76 FDPS (0.45) FDPSSMPD1ALDH1A1MEN1CYP1A2

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
EP-2665775-A1 UV STABILIZATION OF ISOSORBIDE POLYCARBONATES SABIC Innovative Plastics IP B.V. (NL) 2013-11-27 EP disclosed
WO-2012098513-A1 UV STABILIZATION OF ISOSORBIDE POLYCARBONATES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-07-26 WO disclosed