⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6901615 | 1.00 | — | — | |
| SCHEMBL5693065 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL1289407 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL2964678 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL2964675 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL5693199 | 0.76 | — | — | |
| SCHEMBL38956 | 0.74 | — | — | |
| SCHEMBL38647 | 0.74 | — | — | |
| SCHEMBL38957 | 0.74 | — | — | |
| SCHEMBL594354 | 0.74 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1412393-A1 | OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS | Equistar Chemicals, LP (US) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003008464-A1 | OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS | EQUISTAR CHEMICALS, LP (US) | 2003-01-30 | — | — | WO | disclosed |