⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19418916 | 0.87 | AKT1 (0.33) | — | |
| SCHEMBL6733695 | 0.84 | AKT1 (0.32) | — | |
| SCHEMBL17130642 | 0.81 | — | — | |
| SCHEMBL9616140 | 0.81 | — | — | |
| SCHEMBL9616141 | 0.81 | — | — | |
| SCHEMBL4891537 | 0.77 | — | — | |
| SCHEMBL4891533 | 0.77 | — | — | |
| SCHEMBL4891540 | 0.77 | — | — | |
| SCHEMBL18196229 | 0.77 | — | — | |
| SCHEMBL16103903 | 0.74 | TRPA1 (0.39) | — |
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-108727165-A | The method for preparing 2,4- bis- olefine aldehydr acetal compounds and 2,4- diene aldehyde compounds | 信越化学工业株式会社 | 2018-11-02 | — | — | CN | disclosed |