Acetone

Acetone

SCHEMBL8047235

CC(C)=O.OCC(O)CCCC[SiH3]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
GPR84 Q9NQS5 5/20 0.35
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NFKB1 P19838 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PSMD14 O00487 2/20 0.31
PLA2G1B P04054 2/20 0.31
MMP2 P08253 2/20 0.31
ATG4B Q9Y4P1 2/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 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
SCHEMBL4621450 0.89
Acetone SCHEMBL8598525 0.82 THRB (0.48) THRBACACBACACAGPR84FFAR4
Acetone SCHEMBL10802842 0.77 GPR84 (0.47) THRBGPR84FFAR4FFAR1USP2
Acetone SCHEMBL8988663 0.77 ACACB (0.41) THRBACACBACACAGPR84FFAR4
Acetone SCHEMBL27634505 0.76 GPR84 (0.45) THRBGPR84FFAR4FFAR1USP2
Acetic Acid SCHEMBL6654804 0.76 THRB (0.46) THRBACACBACACAGPR84FFAR4
SCHEMBL1164867 0.75 THRB (0.62) THRBACACBACACAGPR84USP2
SCHEMBL15198687 0.74 FFAR4 (0.47) THRBACACBACACAGPR84FFAR4
Acetic Acid SCHEMBL16684802 0.73 THRB (0.48) THRBACACBACACAGPR84FFAR4
SCHEMBL25303278 0.72 THRB (0.59) THRBACACBACACAGPR84FFAR4

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