⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3625382 | 0.69 | — | — | |
| SCHEMBL27617110 | 0.68 | ADORA3 (0.30) | — | |
| SCHEMBL17966707 | 0.68 | — | — | |
| SCHEMBL28681679 | 0.68 | — | — | |
| SCHEMBL29638783 | 0.68 | — | — | |
| SCHEMBL28485690 | 0.64 | — | — | |
| SCHEMBL7855060 | 0.63 | — | — | |
| SCHEMBL17185658 | 0.63 | — | — | |
| SCHEMBL27537648 | 0.63 | — | — | |
| SCHEMBL28693703 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114133360-A | Fluorine-containing benzo [ d ] -1, 3-oxazepine compound and synthetic method thereof | 南京工业大学 | 2022-03-04 | — | — | CN | disclosed |