⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12727817 | 0.73 | — | — | |
| SCHEMBL23126605 | 0.72 | — | — | |
| SCHEMBL8313321 | 0.71 | — | — | |
| SCHEMBL19332959 | 0.69 | — | — | |
| SCHEMBL6882578 | 0.69 | — | — | |
| SCHEMBL22641446 | 0.67 | — | — | |
| SCHEMBL22193284 | 0.67 | — | — | |
| SCHEMBL13067528 | 0.65 | — | — | |
| SCHEMBL13618681 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL19451122 | 0.65 | — | — |
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-9758513-B2 | Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2017-09-12 | — | — | US | disclosed |
| US-20140275007-A1 | OXAMAZIN ANTIBIOTICS | SILICON VALLEY BANK | 2014-09-18 | — | — | US | disclosed |