⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12670287 | 0.67 | — | — | |
| SCHEMBL517940 | 0.50 | — | — | |
| SCHEMBL10952924 | 0.49 | — | — | |
| Alloxan SCHEMBL9652639 | 0.48 | KDM4E (0.44) | — | |
| SCHEMBL2219404 | 0.47 | — | — | |
| SCHEMBL1599923 | 0.47 | — | — | |
| SCHEMBL232122 | 0.46 | — | — | |
| SCHEMBL1431864 | 0.46 | — | — | |
| SCHEMBL14164523 | 0.46 | — | — | |
| SCHEMBL3092227 | 0.46 | — | — |
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-20220017474-A1 | Novel Polycyclic Compound | EUTEC NEW MATERIALS TECHNOLOGY (SUZHOU) CO., LTD. (CN) | 2022-01-20 | — | — | US | disclosed |
| WO-2020118933-A1 | NOVEL POLYCYCLIC COMPOUND | 优缔新材料科技(苏州)有限公司 | 2020-06-18 | — | — | WO | disclosed |