⚠ 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 | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL28548258 | 0.86 | — | — | |
| Norflurane SCHEMBL28456391 | 0.69 | CETP (0.36) | — | |
| SCHEMBL26287 | 0.69 | — | — | |
| SCHEMBL20503577 | 0.62 | — | — | |
| SCHEMBL9880280 | 0.59 | — | — | |
| SCHEMBL103008 | 0.59 | — | — | |
| SCHEMBL43150 | 0.59 | — | — | |
| SCHEMBL9706423 | 0.58 | — | — | |
| SCHEMBL9476037 | 0.57 | — | — | |
| SCHEMBL9476763 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112694484-B | Preparation method of bicyclic sulfite and bicyclic sulfate | 九江天赐高新材料有限公司 | 2022-05-17 | — | — | CN | disclosed |