⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4774417 | 0.89 | — | — | |
| SCHEMBL58132 | 0.89 | — | — | |
| SCHEMBL4890580 | 0.89 | — | — | |
| SCHEMBL57640 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL4898517 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL4898532 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL4898521 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL1228655 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL4769709 | 0.74 | KMT2A (0.33) | — | |
| SCHEMBL4769712 | 0.74 | KMT2A (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2644599-B1 | Method for preparing a 2-halo-4-nitroimidazole compound | OTSUKA PHARMA CO LTD (JP) | 2014-12-10 | — | — | EP | disclosed |
| EP-2644599-A1 | Method for preparing 1-substituted-4-nitroimidazole compound | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-10-02 | — | — | EP | disclosed |
| US-20120130082-A1 | 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same | OTSUKA PHARMACEUTICAL CO., LTD. | 2012-05-24 | — | — | US | disclosed |
| US-8129544-B2 | Preparation of 4-nitroimidazoles that are 2-substituted with a halo or optionally oxidized phenylthio group and 1-substituted with hydrogen, an oxiranylmethyl-, or a phenyl- group; dehalogenation, reduction, nitration, rearrangement | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |
| US-7807843-B2 | 1-substituted-4-nitroimidazole compound and method for preparing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-10-05 | — | — | US | disclosed |
| US-20080200689-A1 | 1-Substituted-4-nitroimidazole compound and method for preparing the same | OTSUKA PHARMACEUTICAL CO., LTD. | 2008-08-21 | — | — | US | disclosed |
| US-7368579-B2 | 1-substituted-4-nitroimidazole compound and process for producing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-06 | — | — | US | disclosed |
| US-20080097107-A1 | 1-substituted-4-nitroimidazole compound and method for preparing the same | OTSUKA PHARMACEUTICAL CO. LTD. | 2008-04-24 | — | — | US | disclosed |
| US-20060079697-A1 | 1-substituted-4-nitroimidazole compound and process for producing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-04-13 | — | — | US | disclosed |
| EP-1553088-A1 | 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME | Otsuka Pharmaceutical Company, Limited (JP) | 2005-07-13 | — | — | EP | disclosed |