Acetone

Acetone

SCHEMBL6437285

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
TAS2R38 P59533 1/20 0.30

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
SCHEMBL22921 0.97
Hydrochloric Acid SCHEMBL30887833 0.94
Ammonia Solution, Strong SCHEMBL28347195 0.94
SCHEMBL7174331 0.80 CHRM1 (0.31) TDP1
SCHEMBL1049447 0.80 ALDH1A1 (0.38) TDP1ALDH1A1TSHR
SCHEMBL10946430 0.80 ALDH1A1 (0.32) TDP1ALDH1A1
SCHEMBL4552844 0.80 LMNA (0.34) TDP1LMNAALDH1A1
Acrylamide SCHEMBL28087262 0.80 ALDH1A1 (0.50) TDP1LMNAALDH1A1TSHRPMP22
Propylamine SCHEMBL9017074 0.78 TDP1 (0.35) TDP1ALDH1A1TSHR
Acrylonitrile SCHEMBL11493140 0.78 ALDH1A1 (0.39) TDP1ALDH1A1TSHR

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
US-20050090612-A1 Polymerization process and materials for biomedical applications ZMS, L.L.C.; A CALIFORNIA LIMITED LIABILITY CORPORATION 2005-04-28 US disclosed
US-20040266941-A1 Biomedical molding materials from semi-solid precursors ZMS, L.L.C. 2004-12-30 US disclosed
EP-1407297-A1 BIOMEDICAL MOLDING MATERIALS FROM SEMI-SOLID PRECURSORS ZMS, LLC (US) 2004-04-14 EP disclosed
US-20030020870-A1 Biomedical molding materials from semi-solid precursors ZMS, LLC 2003-01-30 US disclosed
WO-2003003073-A1 BIOMEDICAL MOLDING MATERIALS FROM SEMI-SOLID PRECURSORS ZMS, LLC (US) 2003-01-09 WO disclosed
US-20020045706-A1 Biomedical molding materials from semi-solid precursors ZMS, LLC 2002-04-18 US disclosed