SCHEMBL3271682

SCHEMBL3271682

C=CC(C(C)=O)C(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9615298 0.85 ALDH1A1 (0.44)
SCHEMBL15447179 0.81
SCHEMBL16994947 0.81
SCHEMBL98031 0.80 TSHR (0.35)
SCHEMBL1978296 0.78
SCHEMBL18606077 0.78
SCHEMBL9718005 0.77
SCHEMBL9593797 0.77
SCHEMBL17000157 0.72 SMN1; SMN2 (0.44)
SCHEMBL3787125 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702773-B Monoazo/iron complex compound, charge control agent comprising the same, and toner HODOGAYA CHEMICAL CO LTD 2015-07-15 CN disclosed
CN-103649840-A Toner and method for manufacturing the same CANON KK 2014-03-19 CN disclosed
CN-103109240-A Charge control agent and toner using same HODOGAYA CHEMICAL CO LTD 2013-05-15 CN disclosed
CN-101427187-B charge control agent composition and toner using the same HODOGAYA CHEMICAL CO LTD 2013-03-27 CN disclosed
CN-102702773-A Monoazo/iron complex compound, charge control agent comprising the same, and toner HODOGAYA CHEMICAL CO LTD 2012-10-03 CN disclosed
CN-101639649-B Developer bearing member and process for producing same, development apparatus and development method CANON KK 2012-08-08 CN disclosed
CN-101329521-B Toner, method of manufacturing the same, two-component developer, developing device, and image forming apparatus SHARP KK 2012-05-23 CN disclosed
CN-101395539-B Toner CANON KABUSHIKI KAISHA (JP) 2011-11-30 CN disclosed
US-7691260-B2 Multifunctional multipolymeric surfactants for oil and bitumen recovery and other applications NANOCHEMICAL OIL COMPANY (US) 2010-04-06 US disclosed
CN-101639649-A Developer bearing member and process for producing same, development apparatus and development method CANON KK 2010-02-03 CN disclosed
CN-101427187-A Charge control agent composition and toner using the same HODOGAYA CHEMICAL CO LTD (JP) 2009-05-06 CN disclosed
CN-101395539-A Toner CANON KK (JP) 2009-03-25 CN disclosed
CN-101329521-A Toner, method of manufacturing the same, two-component developer, developing device, and image forming apparatus SHARP KK (JP) 2008-12-24 CN disclosed
CN-1938386-A Monoazo iron complex compound, charge control agent using the same, and toner HODOGAYA CHEMICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1185552-C Toning resin powder for development and producing method, developer and image forming method FUJI XEROX CO LTD (JP) 2005-01-19 CN disclosed
CN-1310361-A Toning resin powder for development and producing method, developer and image forming method FUJI XEROX CO LTD (JP) 2001-08-29 CN disclosed