⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29078345 | 0.81 | — | — | |
| SCHEMBL29074737 | 0.75 | MAPT (0.30) | — | |
| SCHEMBL722045 | 0.69 | — | — | |
| SCHEMBL27696597 | 0.69 | — | — | |
| SCHEMBL28483686 | 0.68 | — | — | |
| SCHEMBL3517582 | 0.67 | — | — | |
| SCHEMBL4180250 | 0.67 | — | — | |
| SCHEMBL28620050 | 0.67 | — | — | |
| SCHEMBL19321594 | 0.67 | — | — | |
| SCHEMBL6560451 | 0.66 | — | — |
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-115427421-A | 3' -ketoside compounds with slow release of volatile alcohols | 格莱克科学有限公司 | 2022-12-02 | — | — | CN | disclosed |