⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20342899 | 0.83 | — | — | |
| SCHEMBL24851845 | 0.71 | — | — | |
| SCHEMBL22298138 | 0.69 | — | — | |
| SCHEMBL18655734 | 0.69 | — | — | |
| SCHEMBL776509 | 0.67 | — | — | |
| SCHEMBL18998306 | 0.65 | — | — | |
| SCHEMBL18387138 | 0.65 | — | — | |
| SCHEMBL19987196 | 0.65 | — | — | |
| SCHEMBL20227203 | 0.65 | — | — | |
| SCHEMBL22053839 | 0.64 | — | — |
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-1326900-A1 | SINGLE-SITE CATALYSTS BASED ON CAGED DIIMIDE LIGANDS | Equistar Chemicals, LP (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002032972-A1 | SINGLE-SITE CATALYSTS BASED ON CAGED DIIMIDE LIGANDS | EQUISTAR CHEMICALS, LP (US) | 2002-04-25 | — | — | WO | disclosed |