⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9847745 | 0.67 | GSK3A (0.39) | — | |
| SCHEMBL21550076 | 0.63 | GAA (0.50) | — | |
| Hydrochloric Acid SCHEMBL18398544 | 0.60 | — | — | |
| SCHEMBL28256650 | 0.60 | — | — | |
| SCHEMBL28408687 | 0.58 | — | — | |
| SCHEMBL30980991 | 0.58 | — | — | |
| SCHEMBL4719771 | 0.57 | GRIN2D (0.46) | — | |
| SCHEMBL22023619 | 0.55 | GAA (0.42) | — | |
| SCHEMBL31662773 | 0.55 | — | — | |
| SCHEMBL31304880 | 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-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |