⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28073403 | 0.96 | — | — | |
| SCHEMBL28830003 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL28815496 | 0.74 | PDK2 (0.31) | — | |
| SCHEMBL27933311 | 0.74 | CYP2D6 (0.33) | — | |
| SCHEMBL28073404 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL11588589 | 0.70 | — | — | |
| SCHEMBL28073395 | 0.69 | CDC25A (0.31) | — | |
| SCHEMBL27933258 | 0.65 | CDC25A (0.31) | — | |
| SCHEMBL14803820 | 0.65 | PDK2 (0.38) | — | |
| SCHEMBL28815297 | 0.64 | GAA (0.30) | — |
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-103509060-B | Metallocene compound, the carbon monoxide-olefin polymeric comprising metallocene compound and the olefine polymerizing process of use metallocene compound | 大林产业株式会社 | 2016-08-10 | — | — | CN | disclosed |