⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27622531 | 0.80 | — | — | |
| SCHEMBL641682 | 0.72 | — | — | |
| SCHEMBL3883020 | 0.66 | — | — | |
| SCHEMBL3885051 | 0.66 | — | — | |
| SCHEMBL26686729 | 0.61 | — | — | |
| SCHEMBL4419955 | 0.61 | — | — | |
| SCHEMBL2841180 | 0.60 | — | — | |
| SCHEMBL6429181 | 0.58 | — | — | |
| SCHEMBL353444 | 0.58 | — | — | |
| SCHEMBL6655671 | 0.58 | — | — |
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-2025026270-A1 | BENZO NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2025-02-06 | — | — | WO | disclosed |
| CN-110845480-B | Difunctional cytotoxin and application thereof | 荣昌生物制药(烟台)股份有限公司 | 2022-03-15 | — | — | CN | disclosed |