⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1844106 | 0.75 | — | — | |
| SCHEMBL30492756 | 0.57 | — | — | |
| SCHEMBL20875116 | 0.55 | TRPV4 (0.34) | — | |
| SCHEMBL158876 | 0.55 | — | — | |
| SCHEMBL15375205 | 0.55 | CA2 (0.33) | — | |
| SCHEMBL3291771 | 0.55 | IDH1 (0.39) | — | |
| SCHEMBL28720630 | 0.54 | TRPV4 (0.33) | — | |
| SCHEMBL2040588 | 0.54 | — | — | |
| SCHEMBL28833587 | 0.54 | CA2 (0.32) | — | |
| SCHEMBL30442982 | 0.54 | ALOX15 (0.43) | — |
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-2022194122-A1 | NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2022-09-22 | — | — | WO | disclosed |