SCHEMBL942161

SCHEMBL942161

Cc1cccc(N=O)c1

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
Methyl Alcohol SCHEMBL28295227 0.95 HTR3E (0.55)
Phenol SCHEMBL27898167 0.86 ESR1 (0.53)
SCHEMBL1275147 0.81 NOS1 (0.42)
SCHEMBL12216104 0.80 PARP1 (0.52)
SCHEMBL1405327 0.79 MEN1 (0.67)
SCHEMBL11981455 0.79 MEN1 (0.67)
SCHEMBL30102207 0.79 MEN1 (0.67)
SCHEMBL1056695 0.79 ACHE (0.58)
SCHEMBL30332449 0.79 MEN1 (0.67)
SCHEMBL1405329 0.79 MEN1 (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2529388-B1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY MICROMASS LTD (GB) 2019-10-23 EP claimed
US-8623967-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2014-01-07 US claimed
US-20130122599-A1 Fragmentation Reagents For Mass Spectrometry MICROMASS UK LIMITED (GB) 2013-05-16 US claimed
US-20130096264-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-04-18 US claimed
US-8188195-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2012-05-29 US claimed
US-20100168378-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-01 US claimed
CN-118271243-A Benzazepine compound and preparation method thereof 浙大城市学院 2024-07-02 CN disclosed
CN-118237013-A Depleted uranium alpha-UO3Preparation method of (C) and application of catalytic synthesis of nitrobenzene or derivative thereof 兰州大学 2024-06-25 CN disclosed
CN-117920215-A Application of zirconium hydroxide and copper oxide physical mixed catalyst in preparation of nitroaniline or derivative thereof by catalyzing aniline or derivative thereof 兰州大学 2024-04-26 CN disclosed
CN-115340461-A Preparation method of nitrosobenzene or derivative thereof 兰州大学 2022-11-15 CN disclosed
EP-2529388-B1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY MICROMASS LTD (GB) 2019-10-23 EP disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 US disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
EP-1184730-B1 Toner and image forming method CANON KK (JP) 2007-11-07 EP disclosed
WO-2007046553-A1 INK COMPOSITION, MANUFACTURING METHOD OF INK, INK SET, AND RECORDING METHOD FUJIFILM CORPORATION (JP) 2007-04-26 WO disclosed
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 EP disclosed
EP-0211326-B1 PRODUCTION OF GRAVURE INKS FOR ILLUSTRATIONS BAYER AG (DE) 1990-06-06 EP disclosed