⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15257242 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL11185015 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL28206089 | 0.81 | — | — | |
| SCHEMBL20873534 | 0.81 | — | — | |
| SCHEMBL20873536 | 0.81 | — | — | |
| SCHEMBL20873542 | 0.81 | — | — | |
| SCHEMBL20873535 | 0.81 | — | — | |
| SCHEMBL20873545 | 0.81 | — | — | |
| SCHEMBL20873540 | 0.81 | — | — | |
| SCHEMBL20873544 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985584-A | RING OPENING REACTION WITH N2O4 OR N2O5 | SECRETARY OF STATE FOR DEFENCE (GB) | 1991-01-15 | — | — | US | claimed |
| EP-0223440-B1 | A PROCESS FOR THE PRODUCTION OF HIGH ENERGY MATERIAL | The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) | 1991-03-06 | — | — | EP | disclosed |
| US-4985584-A | RING OPENING REACTION WITH N2O4 OR N2O5 | SECRETARY OF STATE FOR DEFENCE (GB) | 1991-01-15 | — | — | US | disclosed |
| EP-0223440-A1 | A process for the production of high energy material | The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) | 1987-05-27 | — | — | EP | disclosed |