⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6388486 | 0.69 | — | — | |
| SCHEMBL3540344 | 0.66 | — | — | |
| SCHEMBL8775519 | 0.65 | — | — | |
| SCHEMBL3546800 | 0.62 | — | — | |
| SCHEMBL309674 | 0.60 | — | — | |
| SCHEMBL28541421 | 0.57 | — | — | |
| SCHEMBL10145369 | 0.57 | — | — | |
| SCHEMBL16295460 | 0.56 | — | — | |
| SCHEMBL31442945 | 0.55 | — | — | |
| SCHEMBL16535300 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011011494-A1 | IMIDAZOAZEPINONE COMPOUNDS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-01-27 | — | — | WO | disclosed |