⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20212016 | 0.59 | — | — | |
| SCHEMBL184857 | 0.59 | — | — | |
| SCHEMBL124148 | 0.59 | — | — | |
| SCHEMBL11126570 | 0.56 | — | — | |
| SCHEMBL408649 | 0.56 | — | — | |
| SCHEMBL149335 | 0.56 | — | — | |
| SCHEMBL2189091 | 0.56 | — | — | |
| SCHEMBL18610390 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL6826503 | 0.56 | — | — | |
| SCHEMBL15340873 | 0.56 | KCNN4 (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9663477-B1 | Synthesis and structure of 3,5-diamino-2,6-di-(tert-butyl-NNO-azoxy) pyrazine as a critical intermediate in the synthesis of a novel energetic compound | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2017-05-30 | — | — | US | claimed |
| CN-110256284-A | A kind of synthetic method and purposes of benzophenone 9 oxime derivate | 合肥工业大学 | 2019-09-20 | — | — | CN | disclosed |
| US-9663477-B1 | Synthesis and structure of 3,5-diamino-2,6-di-(tert-butyl-NNO-azoxy) pyrazine as a critical intermediate in the synthesis of a novel energetic compound | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2017-05-30 | — | — | US | disclosed |
| EP-2574192-B1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | RHODIA CHINA CO LTD (CN) | 2016-09-21 | — | — | EP | disclosed |
| US-8975431-B2 | Process for preparing an ortho-substituted 5-halophenol and a synthesis intermediate thereof | RHODIA OPERATIONS (FR) | 2015-03-10 | — | — | US | disclosed |
| EP-2574192-A1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | Rhodia (China) Co., Ltd. (CN) | 2013-04-03 | — | — | EP | disclosed |
| US-20130066097-A1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | RHODIA (CHINA) CO., LTD. (CN) | 2013-03-14 | — | — | US | disclosed |
| WO-2011143819-A1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | RHODIA (CHINA) CO., LTD. (CN) | 2011-11-24 | — | — | WO | disclosed |