⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9481822 | 1.00 | — | — | |
| SCHEMBL9481113 | 0.87 | — | — | |
| SCHEMBL9480717 | 0.76 | — | — | |
| SCHEMBL9444037 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL9444042 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL4113336 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL28972947 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL11244779 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL9451407 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL10337286 | 0.65 | ALDH1A1 (0.38) | — |
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-5243075-A | Process for producing N-chloromethyl nitramines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1993-09-07 | — | — | US | disclosed |
| US-4362583-A | 1,9-Diazido-2,4,6,8-tetranitro-2,4,6,8-tetrazanonane | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1982-12-07 | — | — | US | disclosed |
| US-4362583-A | 1,9-Diazido-2,4,6,8-tetranitro-2,4,6,8-tetrazanonane | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1982-12-07 | — | — | US | disclosed |