Acetone

Acetone

SCHEMBL1092274

CC(C)=O.COC(C)(OC)C(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.35
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 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
SCHEMBL607413 0.94
SCHEMBL27542242 0.91 ALDH1A1 (0.42) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL27859314 0.79 CYP2C9 (0.39) ALDH1A1TSHRLMNACYP2D6CYP2C19
SCHEMBL318619 0.75
Acetone SCHEMBL1092947 0.74 ALDH1A1 (0.33) ALDH1A1TSHRLMNA
SCHEMBL9114520 0.74 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL4471217 0.74 TSHR (0.33) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Acetone SCHEMBL1822236 0.74 ALDH1A1 (0.61) ALDH1A1TSHRLMNAFFAR3LCK
Acetone SCHEMBL4847604 0.71 LMNA (0.43) ALDH1A1TSHRLMNAFFAR3LCK
SCHEMBL9416833 0.71 ALDH1A1 (0.47) ALDH1A1TSHRFFAR3LCKFYN

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
US-8153729-B2 Highly efficient agents for dispersion of nanoparticles in matrix materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-10 US disclosed
WO-2009148712-A1 HIGHLY EFFICIENT AGENTS FOR DISPERSION OF NANOPARTICLES IN MATRIX MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-10 WO disclosed
US-20090299003-A1 Highly efficient agents for dispersion of nanoparticles in matrix materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-12-03 US disclosed