⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL64072 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL27960253 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL28013221 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL28013804 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL9627673 | 0.76 | — | — | |
| SCHEMBL58560 | 0.74 | — | — | |
| SCHEMBL2302179 | 0.74 | — | — | |
| SCHEMBL1853410 | 0.74 | — | — | |
| SCHEMBL7555586 | 0.74 | — | — | |
| SCHEMBL3607269 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105439957-B | A kind of method of the bromo- 4- nitroimidazoles of synthesis 2- | 浙江省诸暨合力化学对外贸易有限公司 | 2018-05-08 | — | — | CN | disclosed |
| CN-105439957-A | Method for synthesizing 2-bromo-4-nitroimidazole | ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD | 2016-03-30 | — | — | CN | disclosed |
| CN-102131787-B | Methods for the production of 2-halo-4-nitroimidazole and intermediates thereof | DYNAMIT NOBEL AG | 2014-12-03 | — | — | CN | disclosed |
| EP-2323990-B1 | METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF | DYNAMIT NOBEL AG (DE) | 2014-06-18 | — | — | EP | disclosed |
| US-8558005-B2 | Methods for the production of 2-halo-4-nitroimidazole and intermediates thereof | DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) | 2013-10-15 | — | — | US | disclosed |
| US-20110178308-A1 | METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-07-21 | — | — | US | disclosed |
| CN-102131787-A | Methods for the production of 2-halo-4-nitroimidazole and intermediates thereof | DYNAMIT NOBEL AG | 2011-07-20 | — | — | CN | disclosed |
| EP-2323990-A1 | METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF | Dynamit Nobel GmbH Explosivstoff- und Systemtechnik (DE) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010021409-A1 | METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF | DYNAMIT NOBEL GMBH EXPLOSIVSTOFF - UND SYSTEMTECHNIK (DE) | 2010-02-25 | — | — | WO | disclosed |