⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27570594 | 0.75 | MEN1 (0.38) | — | |
| SCHEMBL28246796 | 0.74 | SRC (0.41) | — | |
| SCHEMBL578121 | 0.71 | — | — | |
| SCHEMBL11176606 | 0.69 | — | — | |
| SCHEMBL27802085 | 0.68 | — | — | |
| SCHEMBL2180848 | 0.67 | — | — | |
| SCHEMBL26275334 | 0.67 | — | — | |
| SCHEMBL28852362 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL28041423 | 0.67 | — | — | |
| SCHEMBL3984455 | 0.65 | — | — |
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-105669397-B | A kind of method that lignin oxidation's degraded prepares eugenol | 青岛科技大学 | 2018-01-02 | — | — | CN | disclosed |