⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24408824 | 0.84 | GRM5 (0.30) | — | |
| SCHEMBL24408934 | 0.74 | — | — | |
| SCHEMBL29634708 | 0.74 | — | — | |
| SCHEMBL21326702 | 0.73 | IRAK4 (0.33) | — | |
| SCHEMBL30090025 | 0.73 | IRAK4 (0.33) | — | |
| SCHEMBL29773940 | 0.71 | — | — | |
| SCHEMBL24408809 | 0.70 | KCNH2 (0.32) | — | |
| SCHEMBL29634705 | 0.69 | TRPM8 (0.34) | — | |
| SCHEMBL21326606 | 0.69 | IRAK4 (0.33) | — | |
| SCHEMBL29773916 | 0.69 | IRAK4 (0.33) | — |
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-2022095971-A1 | SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海医药集团股份有限公司 | 2022-05-12 | — | — | WO | disclosed |