⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1132268 | 0.78 | — | — | |
| SCHEMBL2994082 | 0.76 | — | — | |
| SCHEMBL28293444 | 0.76 | — | — | |
| SCHEMBL28295218 | 0.76 | — | — | |
| SCHEMBL9003643 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28146482 | 0.74 | — | — | |
| SCHEMBL28001904 | 0.71 | — | — | |
| SCHEMBL24631524 | 0.67 | — | — | |
| SCHEMBL27850643 | 0.67 | — | — | |
| SCHEMBL2040489 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2017101890-A1 | SPIROKETAL DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION | 上海艾力斯医药科技有限公司 | 2017-06-22 | — | — | WO | disclosed |
| US-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |