⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21285101 | 0.91 | EPHX2 (0.32) | — | |
| SCHEMBL21285249 | 0.91 | HIF1A (0.31) | — | |
| SCHEMBL21285149 | 0.90 | — | — | |
| SCHEMBL23344449 | 0.89 | GRM5 (0.31) | — | |
| SCHEMBL24426591 | 0.88 | — | — | |
| SCHEMBL21344881 | 0.86 | — | — | |
| SCHEMBL24092256 | 0.81 | CYP2D6 (0.34) | — | |
| SCHEMBL21285089 | 0.81 | HIF1A (0.32) | — | |
| SCHEMBL22992091 | 0.80 | — | — | |
| SCHEMBL22345592 | 0.80 | GPR183 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11542235-B2 | Herbicidal 3-azaspiro[5.5] undecane-8, 10-dione compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2023-01-03 | — | — | US | disclosed |
| EP-3752490-B1 | HERBICIDAL 3-AZASPIRO[5.5]UNDECANE-8,10-DIONE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-12-15 | — | — | EP | disclosed |
| US-20210139432-A1 | HERBICIDAL 3- AZASPIRO[5.5] UNDECANE-8, 10-DIONE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-05-13 | — | — | US | disclosed |
| WO-2019158666-A1 | HERBICIDAL 3-AZASPIRO[5.5]UNDECANE-8,10-DIONE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2019-08-22 | — | — | WO | disclosed |