⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18574387 | 0.98 | — | — | |
| SCHEMBL18574225 | 0.93 | — | — | |
| SCHEMBL18574391 | 0.78 | — | — | |
| SCHEMBL605035 | 0.76 | — | — | |
| SCHEMBL105009 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL1578024 | 0.76 | — | — | |
| SCHEMBL29390792 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL10843305 | 0.73 | — | — | |
| SCHEMBL606668 | 0.73 | — | — | |
| SCHEMBL6127793 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9890090-B2 | Melt-castable nitramine binders for high energy compositions | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2018-02-13 | — | — | US | disclosed |
| US-20170057884-A1 | MELT-CASTABLE NITRAMINE BINDERS FOR HIGH ENERGY COMPOSITIONS | THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2017-03-02 | — | — | US | disclosed |