⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL407601 | 0.87 | — | — | |
| SCHEMBL1756535 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL5327956 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL8615396 | 0.67 | GRM8 (0.32) | — | |
| SCHEMBL22129200 | 0.65 | MEN1 (0.34) | — | |
| SCHEMBL27372520 | 0.65 | — | — | |
| SCHEMBL31621813 | 0.65 | — | — | |
| SCHEMBL24119186 | 0.63 | — | — | |
| SCHEMBL6456261 | 0.61 | — | — | |
| SCHEMBL14308037 | 0.61 | PKM (0.32) | — |
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-1753794-B9 | POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION | BASELL POLYOLEFINE GMBH (DE) | 2009-03-04 | — | — | EP | disclosed |
| EP-1753794-B1 | POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION | BASELL POLYOLEFINE GMBH (DE) | 2008-06-04 | — | — | EP | disclosed |