SCHEMBL3908846

SCHEMBL3908846

O=[N+]([O-])c1nc(O)c[nH]1

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
SCHEMBL64072 0.74 CYP3A4 (0.33)
SCHEMBL4262425 0.73
SCHEMBL1979559 0.73
SCHEMBL4553769 0.73
SCHEMBL3955049 0.73
SCHEMBL28819045 0.73 CYP3A4 (0.32)
SCHEMBL6131635 0.73
SCHEMBL30106704 0.73
Dimethylamine SCHEMBL29101974 0.72 SMN1; SMN2 (0.38)
SCHEMBL16752481 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107722010-A A kind of hypoxemia activation chlorethylnitrosourea containing nitroimidazole group and its preparation method and application 北京工业大学 2018-02-23 CN claimed
EP-2027079-A2 GAS GENERATION WITH COPPER COMPLEXED IMIDAZOLE AND DERIVATIVES Autoliv ASP, INC. (US) 2009-02-25 EP claimed
US-7470337-B2 Gas generation with copper complexed imidazole and derivatives AUTOLIV ASP, INC. (US) 2008-12-30 US claimed
WO-2008051274-A2 GAS GENERATION WITH COPPER COMPLEXED IMIDAZOLE AND DERIVATIVES AUTOLIV ASP, INC. (US) 2008-05-02 WO claimed
US-20070240797-A1 Gas generation with copper complexed imidazole and derivatives AUTOLIV ASP, INC. 2007-10-18 US claimed
CN-116803989-A Preparation process of 1-N-methyl-2-nitro-5-hydroxymethyl imidazole 深圳艾欣达伟医药科技有限公司 2023-09-26 CN disclosed
CN-107722010-A A kind of hypoxemia activation chlorethylnitrosourea containing nitroimidazole group and its preparation method and application 北京工业大学 2018-02-23 CN disclosed
US-20160296538-A1 PREDICTIVE AND RESPONSE BIOMARKER FOR TH-302 ANTI-CANCER THERAPY THRESHOLD PHARMACEUTICALS, INC. (US) 2016-10-13 US disclosed
CN-101616695-B The alkalescence 2-nitroimidazole of histanoxia is detected for Noninvasive NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2016-03-16 CN disclosed
EP-2983591-A1 PREDICTIVE AND RESPONSE BIOMARKER FOR TH-302 ANTI-CANCER THERAPY Threshold Pharmaceuticals, Inc. (US) 2016-02-17 EP disclosed
WO-2014169035-A1 PREDICTIVE AND RESPONSE BIOMARKER FOR TH-302 ANTI-CANCER THERAPY THRESHOLD PHARMACEUTICALS, INC. (US) 2014-10-16 WO disclosed
WO-2014030142-A2 NITROIMIDAZOLE COMPOUNDS AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2014-02-27 WO disclosed
CN-101616695-A Be used for the Noninvasive detection and organize anoxybiotic alkalescence 2-nitroimidazole NATURAL PHARMACIA INTERNATIONA 2009-12-30 CN disclosed
EP-2027079-A2 GAS GENERATION WITH COPPER COMPLEXED IMIDAZOLE AND DERIVATIVES Autoliv ASP, INC. (US) 2009-02-25 EP disclosed
US-7470337-B2 Gas generation with copper complexed imidazole and derivatives AUTOLIV ASP, INC. (US) 2008-12-30 US disclosed
WO-2008051274-A2 GAS GENERATION WITH COPPER COMPLEXED IMIDAZOLE AND DERIVATIVES AUTOLIV ASP, INC. (US) 2008-05-02 WO disclosed
US-20070240797-A1 Gas generation with copper complexed imidazole and derivatives AUTOLIV ASP, INC. 2007-10-18 US disclosed
US-5668127-A MYCOBACTERIUM TUBERCULOSIS, CLOSTRIDIUM PATHOGENESIS CORPORATION (US) 1997-09-16 US disclosed