⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5536598 | 0.73 | — | — | |
| SCHEMBL9602691 | 0.73 | — | — | |
| SCHEMBL12151154 | 0.72 | — | — | |
| SCHEMBL25227159 | 0.71 | — | — | |
| SCHEMBL21543629 | 0.71 | — | — | |
| SCHEMBL22678523 | 0.70 | — | — | |
| SCHEMBL859044 | 0.68 | — | — | |
| SCHEMBL12179151 | 0.68 | KDM4E (0.39) | — | |
| SCHEMBL18381552 | 0.68 | — | — | |
| SCHEMBL17080172 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230203055-A1 | FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE | BETTA PHARMACEUTICALS CO., LTD (CN) | 2023-06-29 | — | — | US | disclosed |