⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24680304 | 1.00 | — | — | |
| SCHEMBL24680349 | 0.91 | KDM1A (0.32) | — | |
| SCHEMBL24680332 | 0.91 | KDM1A (0.32) | — | |
| SCHEMBL24680350 | 0.81 | — | — | |
| SCHEMBL24680346 | 0.80 | KDM4E (0.43) | — | |
| SCHEMBL16997043 | 0.80 | KDM4E (0.43) | — | |
| SCHEMBL24680307 | 0.80 | KDM4E (0.43) | — | |
| SCHEMBL24680325 | 0.79 | — | — | |
| SCHEMBL24680342 | 0.79 | — | — | |
| SCHEMBL17916218 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023020519-A1 | 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2023-02-23 | — | — | WO | disclosed |
| WO-2022188729-A1 | FUSED RING DERIVATIVES USEFUL AS KRAS G12D INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2022-09-15 | — | — | WO | disclosed |