⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6169363 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL891486 | 0.65 | — | — | |
| SCHEMBL7405888 | 0.64 | — | — | |
| SCHEMBL2680065 | 0.61 | — | — | |
| SCHEMBL75106 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL4123649 | 0.61 | — | — | |
| SCHEMBL2680647 | 0.59 | — | — | |
| SCHEMBL19610643 | 0.57 | — | — | |
| SCHEMBL6610152 | 0.57 | ALDH1A1 (0.50) | — | |
| SCHEMBL138054 | 0.56 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294580-B | Oxide of 3,5 diaminourea of compound, 2,6 dinitro pyrazine 1 and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-02-06 | — | — | CN | claimed |
| CN-105294580-A | Compound 3,5-diamino-2,6-dinitropyrazine-1-oxide and preparation method thereof | INST CHEMICAL MATERIAL CHINA ACADEMY ENGINEERING PHYSICS | 2016-02-03 | — | — | CN | claimed |
| CN-105294580-B | Oxide of 3,5 diaminourea of compound, 2,6 dinitro pyrazine 1 and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-02-06 | — | — | CN | disclosed |
| CN-105294580-A | Compound 3,5-diamino-2,6-dinitropyrazine-1-oxide and preparation method thereof | INST CHEMICAL MATERIAL CHINA ACADEMY ENGINEERING PHYSICS | 2016-02-03 | — | — | CN | disclosed |
| CN-105294580-A | Compound 3,5-diamino-2,6-dinitropyrazine-1-oxide and preparation method thereof | INST CHEMICAL MATERIAL CHINA ACADEMY ENGINEERING PHYSICS | 2016-02-03 | — | — | CN | disclosed |
| US-8202874-B2 | Substituted N-oxide pyrazine derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-06-19 | — | — | US | disclosed |
| EP-2321286-B1 | SUBSTITUTED N-OXIDE PYRAZINE DERIVATIVES | MITSUBISHI TANABE PHARMA CORP (JP) | 2012-02-15 | — | — | EP | disclosed |
| US-20110136828-A1 | SUBSTITUTED N-OXIDE PYRAZINE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-06-09 | — | — | US | disclosed |
| EP-2321286-A1 | SUBSTITUTED N-OXIDE PYRAZINE DERIVATIVES | Mitsubishi Tanabe Pharma Corporation (JP) | 2011-05-18 | — | — | EP | disclosed |
| WO-2009156857-A1 | SUBSTITUTED N-OXIDE PYRAZINE DERIVATIVES | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-12-30 | — | — | WO | disclosed |
| EP-2138485-A1 | Substituted N-Oxide pyrazine derivatives | sanofi-aventis (FR) | 2009-12-30 | — | — | EP | disclosed |
| US-4082844-A | ANOREXIC AGENTS | MERCK & CO., INC. (US) | 1978-04-04 | — | — | US | disclosed |
| US-4081542-A | ANOREXIC AGENTS | MERCK & CO., INC. (US) | 1978-03-28 | — | — | US | disclosed |