SCHEMBL128356

SCHEMBL128356

[CH2]CCC(C)(C)C#N

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
SCHEMBL3629035 0.83
SCHEMBL5666558 0.82
SCHEMBL13672510 0.79
SCHEMBL15058220 0.78
SCHEMBL6236107 0.78
SCHEMBL27735539 0.78
SCHEMBL8763241 0.78
SCHEMBL9478548 0.75
SCHEMBL14908 0.75
SCHEMBL7807742 0.75

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030195311-A1 Multi-component liquid azo-peroxide initiator mixture and method for using same CROMPTON CORPORATION 2003-10-16 US claimed
EP-0847383-B1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES DU PONT (US) 2001-11-07 EP claimed
EP-0847383-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-17 EP claimed
US-5760192-A FREE RADICAL, POLYMERIZATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-02 US claimed
WO-1997008137-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO claimed
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875640-B2 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO disclosed
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2008-10-02 US disclosed
WO-2003089484-A1 MULTI-COMPONENT LIQUID AZO-PEROXIDE INITIATOR MIXTURE AND METHOD FOR USING SAME CROMPTON CORPORATION (US) 2003-10-30 WO disclosed
US-20030195311-A1 Multi-component liquid azo-peroxide initiator mixture and method for using same CROMPTON CORPORATION 2003-10-16 US disclosed
EP-0847383-B1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES DU PONT (US) 2001-11-07 EP disclosed
EP-0847383-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-17 EP disclosed
US-5760192-A FREE RADICAL, POLYMERIZATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-02 US disclosed
WO-1997008137-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed