⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22355451 | 1.00 | — | — | |
| SCHEMBL22355448 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29694258 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL29694224 | 0.99 | — | — | |
| SCHEMBL22355462 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL30850050 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL22355459 | 0.77 | NTRK1 (0.35) | — | |
| SCHEMBL22355519 | 0.77 | NTRK1 (0.35) | — | |
| SCHEMBL22355454 | 0.77 | NTRK1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL30850013 | 0.76 | NTRK1 (0.34) | — |
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-20220204526-A1 | HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2022-06-30 | — | — | US | disclosed |
| WO-2020165776-A1 | HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-08-20 | — | — | WO | disclosed |