⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11010444 | 1.00 | — | — | |
| SCHEMBL9106139 | 0.62 | — | — | |
| SCHEMBL12129962 | 0.62 | — | — | |
| SCHEMBL12127812 | 0.62 | — | — | |
| SCHEMBL1678847 | 0.61 | — | — | |
| SCHEMBL1678849 | 0.61 | — | — | |
| SCHEMBL11640375 | 0.57 | MEN1 (0.30) | — | |
| SCHEMBL1402836 | 0.56 | — | — | |
| Water SCHEMBL11639569 | 0.55 | — | — | |
| SCHEMBL19269020 | 0.54 | CRBN (0.33) | — |
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-4539405-A | EXPOLSIVES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1985-09-03 | — | — | US | claimed |
| US-4539405-A | EXPOLSIVES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1985-09-03 | — | — | US | disclosed |
| US-4539405-A | EXPOLSIVES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1985-09-03 | — | — | US | disclosed |