SCHEMBL78644

SCHEMBL78644

O=C([N+](=O)[O-])[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
SCHEMBL10906198 0.75
SCHEMBL31339221 0.75
SCHEMBL492657 0.73
SCHEMBL32680474 0.73 CA5A (0.46)
SCHEMBL10716872 0.70
Hydrochloric Acid SCHEMBL4764064 0.70
SCHEMBL31038349 0.70
SCHEMBL4764061 0.70
SCHEMBL321132 0.70
SCHEMBL1161958 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119505139-A Polymer containing nitro carbon chain, polymer binder, polymer film and application thereof 武汉立膜科技有限公司 2025-02-25 CN claimed
CN-114213254-A Beta-nitroketone, and preparation method and application method thereof 北京师范大学 2022-03-22 CN claimed
CN-110100009-A The chemical connection process of nucleic acid 伊鲁米那股份有限公司 2019-08-06 CN claimed
CN-108174602-A Rubber composition 米其林集团总公司 2018-06-15 CN claimed
CN-107849817-A Chemical composition for anti-corrosion mineral paper 纳尔逊·郑吉耀 2018-03-27 CN claimed
US-9409855-B2 Asymmetric synthesis of (−)-venlafaxine using organocatalyst COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-09 US claimed
CN-105658445-A Rubber composition comprising a 1,3-dipolar compound additive having an imidazole function 米其林集团总公司 2016-06-08 CN claimed
US-20150175524-A1 ASYMMETRIC SYNTHESIS OF (-)-VENLAFAXINE USING ORGANOCATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-06-25 US claimed
WO-2014016852-A1 ASYMMETRIC SYNTHESIS OF (-)-VENLAFAXINE USING ORGANOCATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-01-30 WO claimed
US-8003784-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2011-08-23 US claimed
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2009-12-10 US claimed
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP claimed
EP-1756095-A2 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME Wyeth (US) 2007-02-28 EP claimed
WO-2005105739-A2 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2005-11-10 WO claimed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 US claimed
EP-0946537-B1 PROCESS FOR THE STEREOSELECTIVE PRODUCTION OF NITRO-ENAMINE COMPOUNDS ABBOTT LAB (US) 2005-05-04 EP claimed
US-20040249187-A1 Method for producing chiral amino acid derivatives BAYER CHEMICALS AG (DE) 2004-12-09 US claimed
EP-0946537-A1 PROCESS FOR THE STEREOSELECTIVE PRODUCTION OF NITRO-ENAMINE COMPOUNDS Abbott Laboratories (US) 1999-10-06 EP claimed
US-5801250-A Process for the stereoselective production of nitro-enamine compounds ABBOTT LABORATORIES (US) 1998-09-01 US claimed
WO-1998025917-A1 PROCESS FOR THE STEREOSELECTIVE PRODUCTION OF NITRO-ENAMINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-06-18 WO claimed