⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2286647 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL8753950 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL27546100 | 0.71 | — | — | |
| SCHEMBL10549230 | 0.71 | — | — | |
| SCHEMBL6194564 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL27632698 | 0.71 | — | — | |
| SCHEMBL10666147 | 0.69 | — | — | |
| SCHEMBL844187 | 0.69 | — | — | |
| SCHEMBL1700921 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL6235669 | 0.69 | — | — |
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-4323518-A | Polynitroethylthionocarbonates and method of preparation | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1982-04-06 | — | — | US | disclosed |
| US-4120710-A | ENERGETIC PLASTICIZERS IN EXPLOSIVES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1978-10-17 | — | — | US | disclosed |