SCHEMBL67858

SCHEMBL67858

[CH2]C(C)(C)[N+](=O)[O-]

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
SCHEMBL1720481 0.85
SCHEMBL6745903 0.81
SCHEMBL27296549 0.79
SCHEMBL1330527 0.75
SCHEMBL1122744 0.75
SCHEMBL3635527 0.72
SCHEMBL3306963 0.72 ALDH1A1 (0.56)
Ammonia Solution, Strong SCHEMBL14248697 0.72
SCHEMBL186676 0.72 ALDH1A1 (0.56)
SCHEMBL2220039 0.72 TSHR (0.47)

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 1286 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9716235-B2 9,10-bis[2-(p-substituted phenyl)pyrimidin-4-yl] anthracene compounds, methods of preparing the same, organic electroluminescent devices and organic electroluminescent display apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2017-07-25 US claimed
US-20150214487-A1 9,10-Bis[2-(p-substituted phenyl)pyrimidin-4-yl] Anthracene Compounds, Methods of Preparing the Same, Organic Electroluminescent Devices and Organic Electroluminescent Display Apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-07-30 US claimed
US-20140213691-A1 WATER-BASED POLYMER EMULSIONS FOR OPAQUE FILMS AND COATINGS APPLICATIONS BASF SE (DE) 2014-07-31 US claimed
EP-2751171-A1 WATER-BASED POLYMER EMULSIONS FOR OPAQUE FILMS AND COATINGS APPLICATIONS BASF SE (DE) 2014-07-09 EP claimed
EP-2314558-B1 BENZOFLUORANTHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT COMPRISING SAME IDEMITSU KOSAN CO (JP) 2014-05-14 EP claimed
EP-1903020-B1 BIPHENYL DERIVATIVES, ORGANIC ELECTROLUMINESCENT MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICES MADE BY USING THE SAME IDEMITSU KOSAN CO (JP) 2014-03-19 EP claimed
WO-2013033181-A1 WATER-BASED POLYMER EMULSIONS FOR OPAQUE FILMS AND COATINGS APPLICATIONS BASF SE (DE) 2013-03-07 WO claimed
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US claimed
CN-101414662-B organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS 2011-01-12 CN claimed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US claimed
US-5719304-A Organic peroxide stabilization with phosphomolybdic acid WITCO CORPORATION (US) 1998-02-17 US claimed
CN-1172105-A Organic peroxide stabilization with alpha-hydroxyalkyl peroxides WITCO CORP (US) 1998-02-04 CN claimed
US-5714626-A PEROXYDICARBONATES OR DIACYL PEROXIDES AND CYCLIC OR ACYCLIC BETA-DICARBONYL STABILIZERS TO RETARD THE RATE OF DECOMPOSITON OF PEROXIDES WHICH ARE USED AS FREE-RADICAL INTITIATORS WITCO CORPORATION (US) 1998-02-03 US claimed
CN-1168371-A Organic peroxide stabilization with phosphomolybdic acid WITCO CORP (US) 1997-12-24 CN claimed
CN-1167760-A Organic peroxide stabilization with beta-dicarbonyl or cyclic alpha-diketone compounds WITCO CORP (US) 1997-12-17 CN claimed
EP-0810212-A2 Organic peroxide stabilization with alpha-hydroxyalkyl peroxides WITCO CORPORATION (US) 1997-12-03 EP claimed
EP-0810213-A2 Organic peroxide stabilization with beta-dicarbonyl or cyclic alpha-diketone compounds WITCO CORPORATION (US) 1997-12-03 EP claimed
EP-0810211-A2 Organic peroxide stabilization with phosphomolybdic acid WITCO CORPORATION (US) 1997-12-03 EP claimed
US-5654463-A Organic peroxide stabilization with α-hydroxyalkyl peroxides WITCO CORPORATION (US) 1997-08-05 US claimed
US-5654464-A RETARDING THE RATE OF DECOMPOSITION OF ESPECIALLY PEROXYDICARBONATE AND DIACYL PEROXIDE COMPOSITIONS; NONEXPLOSIVE; HEAT RESISTANCE; FREE RADICAL CATALYSTS; ADDITION POLYMERIZATION CATALYSTS WITCO CORPORATION (US) 1997-08-05 US claimed