⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6026437 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL9485759 | 0.76 | — | — | |
| SCHEMBL14719770 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL9242372 | 0.64 | — | — | |
| SCHEMBL1449843 | 0.64 | — | — | |
| SCHEMBL2254949 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL9480705 | 0.62 | — | — | |
| SCHEMBL9481822 | 0.62 | — | — | |
| SCHEMBL1935346 | 0.62 | — | — | |
| SCHEMBL4263094 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8444783-B1 | 3,3,7,7-tetrakis(difluoramino)octahydro-1,5-diazocinium salts | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2013-05-21 | — | — | US | disclosed |
| US-7632943-B1 | Method for making 3,3,7,7-tetrakis(difluoramino)octahydro-1,5-dinitro-1,5-diazocine (HNFX) | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2009-12-15 | — | — | US | disclosed |
| US-7563889-B1 | 3,3,7,7,-tetrakis(difluoramino)octahydro-1,5-diazocinium salts and method for making the same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2009-07-21 | — | — | US | disclosed |