⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15138 | 0.97 | — | — | |
| SCHEMBL28121187 | 0.94 | — | — | |
| Trimethylammonium SCHEMBL28140327 | 0.88 | ELANE (0.33) | — | |
| Magnesium Chloride Anhydrous SCHEMBL25336242 | 0.86 | ELANE (0.32) | — | |
| SCHEMBL28311049 | 0.86 | ELANE (0.32) | — | |
| SCHEMBL10904903 | 0.75 | — | — | |
| SCHEMBL9524075 | 0.75 | ELANE (0.32) | — | |
| SCHEMBL28136788 | 0.73 | — | — | |
| SCHEMBL23928754 | 0.73 | — | — | |
| SCHEMBL6821168 | 0.73 | — | — |
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-113195510-A | Process for producing glucopyranosyl derivative and intermediate therefor | 广东东阳光药业有限公司 | 2021-07-30 | — | — | CN | disclosed |