Acetone

Acetone

SCHEMBL27701709

CC(C)=O.CC(C)=O.CCCCO[Zr]

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 6/20 0.41
CES2 O00748 2/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
CES1 P23141 2/20 0.39
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL28621805 0.88 ALDH1A1 (0.48) ALDH1A1ATMTSHRCES2HPGD
SCHEMBL1760802 0.86
Methacrylic Acid SCHEMBL27730733 0.84 TSHR (0.46) ALDH1A1ATMTSHRCES2HPGD
Hydrochloric Acid SCHEMBL18340213 0.83
Bromide SCHEMBL27757902 0.83
Bromide SCHEMBL27119445 0.83
Hydrochloric Acid SCHEMBL27757911 0.83
Acetoacetic Acid SCHEMBL7043576 0.83 ALDH1A1 (0.43) ALDH1A1ATMTSHRCES2HCAR2
Acetoacetic Acid SCHEMBL10724184 0.83 ALDH1A1 (0.43) ALDH1A1ATMTSHRCES2HCAR2
SCHEMBL11097100 0.80 ALDH1A1 (0.41) ALDH1A1ATMTSHRCES2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026826-B Process for producing modified conjugated diene polymer, and rubber composition and tire each produced using same BRIDGESTONE CORP 2015-01-14 CN disclosed
CN-103676522-A Cleaning blade, process cartridge, and image forming apparatus FUJI XEROX CO LTD 2014-03-26 CN disclosed
CN-101539727-B Electrophotographic photoreceptor, process cartridge and image forming apparatus FUJI XEROX CO LTD 2012-06-20 CN disclosed
CN-101013276-B Electrophotographic photoconductor, image forming apparatus, image forming method, and process cartridge RICOH CO LTD 2012-02-29 CN disclosed
CN-101334593-B Electrophotographic photoreceptor, process cartridge, image forming apparatus, and film forming coating solution FUJI XEROX CORP. (JP) 2011-12-21 CN disclosed
CN-101520616-B Electrophotographic photoreceptor, and image forming apparatus and process cartridge using the same FUJI XEROX CORP. (JP) 2011-12-07 CN disclosed
CN-101377648-B Image forming apparatus and process cartridge FUJITSU XEROX CORP 2011-05-18 CN disclosed
CN-102026826-A Process for producing modified conjugated diene polymer, and rubber composition and tire each produced using same BRIDGESTONE CORP 2011-04-20 CN disclosed
CN-101539727-A Electrophotographic photoreceptor, process cartridge and image forming apparatus FUJI XEROX CO LTD 2009-09-23 CN disclosed
CN-101520616-A Electrophotographic photoreceptor, and image forming apparatus and process cartridge using the same FUJI XEROX CO LTD 2009-09-02 CN disclosed
CN-101377648-A Image forming apparatus and process cartridge FUJI XEROX CO LTD (JP) 2009-03-04 CN disclosed
CN-101334593-A Electrophotographic photoreceptor, process cartridge, image forming apparatus, and film forming coating solution FUJI XEROX CO LTD (JP) 2008-12-31 CN disclosed
CN-101013276-A Electrophotographic photoconductor, image forming apparatus, image forming method, and process cartridge RICOH KK (JP) 2007-08-08 CN disclosed