⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26627545 | 0.79 | — | — | |
| SCHEMBL8826215 | 0.73 | PDE7B (0.33) | — | |
| SCHEMBL19693619 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL30845948 | 0.71 | — | — | |
| SCHEMBL20396134 | 0.70 | NEK2 (0.32) | — | |
| SCHEMBL26298348 | 0.63 | CYP2D6 (0.36) | — | |
| SCHEMBL8826332 | 0.63 | ATM (0.46) | — | |
| SCHEMBL1830788 | 0.63 | — | — | |
| SCHEMBL27096692 | 0.63 | — | — | |
| SCHEMBL16931384 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118666861-A | Synthesis method of 2, 5-dioxaspiro [3,4] octane-7-ketone | 都创(上海)医药科技股份有限公司 | 2024-09-20 | — | — | CN | claimed |
| CN-118666861-A | Synthesis method of 2, 5-dioxaspiro [3,4] octane-7-ketone | 都创(上海)医药科技股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| US-20240059703-A1 | HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE | AMGEN INC. | 2024-02-22 | — | — | US | disclosed |