⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29643533 | 0.86 | — | — | |
| 1,3-Propanediol SCHEMBL28543791 | 0.67 | ALDH1A1 (0.32) | — | |
| 1,3-Propanediol SCHEMBL28553885 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL29171470 | 0.61 | — | — | |
| 1,3-Propanediol SCHEMBL4973361 | 0.61 | — | — | |
| 1,3-Propanediol SCHEMBL15135 | 0.61 | — | — | |
| 1,3-Propanediol SCHEMBL8850846 | 0.61 | TSHR (0.50) | — | |
| 1,3-Propanediol SCHEMBL8809902 | 0.60 | — | — | |
| 1,3-Propanediol SCHEMBL10780274 | 0.60 | — | — | |
| SCHEMBL2856285 | 0.59 | — | — |
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 2 patents. 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 |
| CN-112694484-A | Preparation method of bicyclic sulfite and bicyclic sulfate | 九江天赐高新材料有限公司 | 2021-04-23 | — | — | CN | disclosed |