SCHEMBL4553769

SCHEMBL4553769

O=[N+]([O-])c1nc(Cl)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)
SCHEMBL27960253 0.73 CYP3A4 (0.32)
SCHEMBL28013804 0.73 CYP3A4 (0.32)
SCHEMBL28013221 0.73 CYP3A4 (0.32)
SCHEMBL3908846 0.73
SCHEMBL28819045 0.73 CYP3A4 (0.32)
SCHEMBL3955049 0.73
SCHEMBL30106704 0.73
SCHEMBL6131635 0.73
SCHEMBL1979559 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015126922-A2 RAPID PHENOTYPE TESTS FOR ANTITUBERCULAR DRUG SENSITIVITY AND RESISTANCE STC. UNM (US) 2015-08-27 WO claimed
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
CN-109507342-B Method for determining nitroimidazole drug residues in blood sample 中国检验检疫科学研究院 2021-11-16 CN disclosed
US-20170010272-A1 RAPID PHENOTYPE TESTS FOR ANTITUBERCULAR DRUG SENSITIVITY AND RESISTANCE TRIAD NATIONAL SECURITY, LLC 2017-01-12 US disclosed
WO-2015126922-A2 RAPID PHENOTYPE TESTS FOR ANTITUBERCULAR DRUG SENSITIVITY AND RESISTANCE STC. UNM (US) 2015-08-27 WO disclosed
EP-2101825-A2 HYPOXIA-SELECTIVE, WEAKLY BASIC 2-NITROIMIDAZOLE DELIVERY AGENTS AND METHODS OF USE THEREOF Natural Pharmacia International, Inc. (US) 2009-09-23 EP disclosed
WO-2008070336-A2 HYPOXIA-SELECTIVE, WEAKLY BASIC 2-NITROIMIDAZOLE DELIVERY AGENTS AND METHODS OF USE THEREOF NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2008-06-12 WO disclosed
EP-1537869-A2 Radiosensibilizer and preparation thereof Christian-Albrechts-Universität zu Kiel (DE) 2005-06-08 EP disclosed
EP-0866793-B1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORP (US) 2004-10-27 EP disclosed
US-6087358-A BACTERICIDES TREATING PATHOGENIC INFECTIONS OF MYCOBACTERIA, CLOSTRIDIUM, CRYPTOSPORIDIUM OR HELICOBACTER AND MULTIDRUG-RESISTANT TUBERCULOSIS PATHOGENESIS CORPORATION (US) 2000-07-11 US disclosed
EP-0866793-A4 1998-10-07 EP disclosed
EP-0866793-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1998-09-30 EP disclosed
WO-1997001562-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1997-01-16 WO disclosed