⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28013541 | 0.90 | MEN1 (0.30) | — | |
| SCHEMBL28412326 | 0.88 | — | — | |
| SCHEMBL28064775 | 0.88 | — | — | |
| SCHEMBL5328066 | 0.88 | — | — | |
| Zinc Ion SCHEMBL28006153 | 0.88 | — | — | |
| SCHEMBL28109650 | 0.88 | — | — | |
| SCHEMBL28135198 | 0.88 | — | — | |
| Nitric Acid SCHEMBL29070792 | 0.86 | CA5A (0.38) | — | |
| Oxygen SCHEMBL28019162 | 0.86 | — | — | |
| Nitric Acid SCHEMBL1351227 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106928161-A | Nitramine furazan class sylvite containing energy, preparation method and its usage | 中国科学院上海有机化学研究所 | 2017-07-07 | — | — | CN | claimed |
| CN-106928161-A | Nitramine furazan class sylvite containing energy, preparation method and its usage | 中国科学院上海有机化学研究所 | 2017-07-07 | — | — | CN | disclosed |
| CN-103483264-A | Energetic ion salts of 1-nitramine-2, 4-dimetridazloe and preparation method thereof | BEIJING INST TECHNOLOGY | 2014-01-01 | — | — | CN | disclosed |