⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13506679 | 0.75 | GSR (0.30) | — | |
| SCHEMBL2388886 | 0.71 | NPSR1 (0.40) | — | |
| SCHEMBL2399811 | 0.60 | — | — | |
| SCHEMBL6720437 | 0.58 | — | — | |
| SCHEMBL8999403 | 0.57 | MEN1 (0.75) | — | |
| SCHEMBL8008561 | 0.57 | — | — | |
| SCHEMBL31531034 | 0.57 | MEN1 (0.75) | — | |
| SCHEMBL1121202 | 0.57 | — | — | |
| SCHEMBL2027908 | 0.57 | MEN1 (0.75) | — | |
| SCHEMBL2547502 | 0.57 | MEN1 (0.75) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4476060-A | EXPLOSIVE, PROPELLANT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1984-10-09 | — | — | US | claimed |
| CN-115490698-B | 6-nitro-2-oxa-6-azaadamantane-4, 8-diol dinitrate and preparation method thereof | 南京理工大学 | 2023-10-31 | — | — | CN | disclosed |
| CN-115490698-A | 6-nitro-2-oxa-6-azaadamantane-4,8-diol dinitrate and preparation method thereof | 南京理工大学 | 2022-12-20 | — | — | CN | disclosed |
| CN-114195787-A | 2-nitro-2-azaadamantane-4, 6, 8-triol trinitrate and preparation method thereof | 南京理工大学 | 2022-03-18 | — | — | CN | disclosed |
| US-4476060-A | EXPLOSIVE, PROPELLANT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1984-10-09 | — | — | US | disclosed |
| US-4476060-A | EXPLOSIVE, PROPELLANT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1984-10-09 | — | — | US | disclosed |
| US-4476060-A | EXPLOSIVE, PROPELLANT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1984-10-09 | — | — | US | disclosed |