⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26433342 | 0.89 | KDM4E (0.33) | — | |
| SCHEMBL26433032 | 0.84 | — | — | |
| SCHEMBL9606752 | 0.63 | KDM4E (0.41) | — | |
| SCHEMBL16451289 | 0.60 | HCAR2 (0.31) | — | |
| SCHEMBL9604653 | 0.58 | — | — | |
| SCHEMBL13259344 | 0.55 | BRD4 (0.31) | — | |
| SCHEMBL19056384 | 0.54 | BRD4 (0.32) | — | |
| SCHEMBL12016679 | 0.52 | KDM4E (0.41) | — | |
| SCHEMBL19323690 | 0.52 | KDM4E (0.32) | — | |
| SCHEMBL14097061 | 0.51 | GALR2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023066377-A1 | NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 索智生物科技（浙江）有限公司 | 2023-04-27 | — | — | WO | disclosed |