⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL777131 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL19285352 | 0.74 | ENPP2 (0.42) | — | |
| SCHEMBL3265878 | 0.73 | — | — | |
| SCHEMBL8642974 | 0.73 | — | — | |
| SCHEMBL860709 | 0.72 | ENPP2 (0.49) | — | |
| SCHEMBL24686691 | 0.71 | — | — | |
| SCHEMBL51235 | 0.67 | — | — | |
| SCHEMBL5731663 | 0.67 | — | — | |
| SCHEMBL23366506 | 0.66 | — | — | |
| SCHEMBL22430676 | 0.65 | ALDH1A1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183182-A1 | COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF | WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) | 2023-06-15 | — | — | US | disclosed |
| WO-2022161416-A1 | AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2022-08-04 | — | — | WO | disclosed |
| WO-2021104486-A1 | COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2021-06-03 | — | — | WO | disclosed |