⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30091 | 0.85 | — | — | |
| SCHEMBL11406677 | 0.85 | ALDH1A1 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL28280830 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL496907 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL27808519 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL15210 | 0.80 | — | — | |
| SCHEMBL125659 | 0.80 | — | — | |
| Fluoride SCHEMBL151218 | 0.80 | — | — | |
| Bromide SCHEMBL9163595 | 0.80 | — | — | |
| Iodide SCHEMBL329903 | 0.80 | — | — |
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-109601002-B | Metal complex and preparation method thereof, catalyst for olefin polymerization and preparation method of alpha-olefin polymer | 国立大学法人东京大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-109601002-A | Metal complex and preparation method thereof, the catalytic component for olefinic polymerization containing the metal complex and the catalyst for olefinic polymerization, and the method using the catalyst preparation alpha-olefine polymers and copolymer for olefinic polymerization | 国立大学法人东京大学 | 2019-04-09 | — | — | CN | disclosed |