Acetone

Acetone

SCHEMBL4650152

CC(=O)CC(O)CO.CC(C)=O.OCCO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.38
THRB P10828 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.32
OR51E2 Q9H255 1/20 0.31

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
SCHEMBL14706003 0.92
SCHEMBL689567 0.92
Formaldehyde SCHEMBL9651612 0.87 ALDH1A1 (0.43) ALDH1A1TDP1LMNATHRBSLC22A6
Glycerin SCHEMBL28732717 0.84 LMNA (0.56) ALDH1A1TDP1LMNATHRBSLC22A6
SCHEMBL2337444 0.78 ALDH1A1 (0.56) ALDH1A1TDP1LMNASLC22A6
Glycerin SCHEMBL4554867 0.78 LMNA (0.64) ALDH1A1TDP1LMNATHRBSLC22A6
Glycerin SCHEMBL1831824 0.78 LMNA (0.64) ALDH1A1TDP1LMNATHRBSLC22A6
Glycerin SCHEMBL93722 0.78 LMNA (0.64) ALDH1A1TDP1LMNATHRBSLC22A6
SCHEMBL20530464 0.77
SCHEMBL20530462 0.77

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-1962866-A2 HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY DEVICE FOR INHIBITING THE GROWTH OF ONYCHOMYCOSIS AND URUSHIOL-INDUCED ALLERGIC CONTACT DERMATITIS Roof Matrix, Inc. (US) 2008-09-03 EP disclosed
WO-2007062381-A2 HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY DEVICE FOR INHIBITING THE GROWTH OF ONYCHOMYCOSIS AND URUSHIOL-INDUCED ALLERGIC CONTACT DERMATITIS ROOF MATRIX, INC. (US) 2007-05-31 WO disclosed