Acetone

Acetone

SCHEMBL8058898

C=CC[Si](CC=C)(CC=C)CCCCC(O)CO.CC(C)=O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 1/20 0.31
ACACA Q13085 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
SCHEMBL8059780 0.92 USP2 (0.37) USP2CYP3A4SMN1; SMN2
SCHEMBL16477666 0.80 ALDH1A1 (0.31) USP2ALDH1A1CYP3A4MAPTHPGD
Acetone SCHEMBL8598525 0.70 THRB (0.48) USP2ALDH1A1CYP3A4SMN1; SMN2ACACB
SCHEMBL8378023 0.70 OR51E2 (0.30)
SCHEMBL8062298 0.69 USP2 (0.46) USP2
Acetone SCHEMBL8047235 0.67 THRB (0.39) USP2ALDH1A1CYP3A4SMN1; SMN2ACACB
SCHEMBL16076629 0.67 THRB (0.39) USP2ALDH1A1CYP3A4MAPTSMN1; SMN2
Bicarbonate SCHEMBL9223881 0.67 THRB (0.39) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL16243897 0.67 LMNA (0.31) ALDH1A1
SCHEMBL346306 0.67 USP2 (0.59) USP2ALDH1A1CYP3A4MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873189-B1 ADSORPTION MEDIUM AND METHOD OF PREPARING SAME MINNESOTA MINING & MFG (US) 2000-09-06 EP disclosed
US-5968652-A Silane coated particle 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-10-19 US disclosed
US-5876595-A OLEFINIC SILANES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-02 US disclosed
EP-0873189-A1 ADSORPTION MEDIUM AND METHOD OF PREPARING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-28 EP disclosed
US-5667674-A POLYCARBOSILANE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-16 US disclosed
WO-1997025140-A1 ADSORPTION MEDIUM AND METHOD OF PREPARING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-17 WO disclosed