⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28693433 | 0.76 | — | — | |
| SCHEMBL15562133 | 0.67 | — | — | |
| SCHEMBL17911386 | 0.65 | — | — | |
| SCHEMBL29025928 | 0.63 | — | — | |
| SCHEMBL1247910 | 0.63 | — | — | |
| SCHEMBL28416487 | 0.62 | — | — | |
| SCHEMBL5840935 | 0.59 | — | — | |
| SCHEMBL27682365 | 0.58 | — | — | |
| SCHEMBL2253592 | 0.58 | — | — | |
| SCHEMBL17763837 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111233701-B | Benzobucket alkene pentapterene ligand, transition metal catalyst, preparation method and application in ethylene polymerization | 中国科学院长春应用化学研究所 | 2021-03-23 | — | — | CN | disclosed |
| CN-111233701-A | Novel benzo bucket alkene pentapterene ligand, transition metal catalyst, preparation method and application in ethylene polymerization | 中国科学院长春应用化学研究所 | 2020-06-05 | — | — | CN | disclosed |