⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22413663 | 0.77 | — | — | |
| SCHEMBL1447713 | 0.73 | — | — | |
| SCHEMBL846531 | 0.73 | — | — | |
| SCHEMBL30951905 | 0.71 | SYK (0.30) | — | |
| SCHEMBL12224296 | 0.69 | LIPA (0.32) | — | |
| SCHEMBL6410197 | 0.69 | — | — | |
| SCHEMBL24051086 | 0.69 | — | — | |
| SCHEMBL23784880 | 0.69 | — | — | |
| SCHEMBL17999779 | 0.69 | EPHX1 (0.31) | — | |
| SCHEMBL23784975 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023066292-A1 | TRICYCLIC BORONIC ACID DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海济煜医药科技有限公司 | 2023-04-27 | — | — | WO | disclosed |
| EP-3694858-B1 | BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2023-01-11 | — | — | EP | disclosed |
| EP-3875452-A1 | MONOACYLGLYCEROL LIPASE INHIBITORS | Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) | 2021-09-08 | — | — | EP | disclosed |
| WO-2019072942-A1 | BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2019-04-18 | — | — | WO | disclosed |