⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5972800 | 0.74 | — | — | |
| SCHEMBL745548 | 0.65 | — | — | |
| SCHEMBL6929548 | 0.64 | — | — | |
| SCHEMBL2488617 | 0.61 | — | — | |
| SCHEMBL2490292 | 0.60 | — | — | |
| SCHEMBL29130494 | 0.59 | MAOA (0.48) | — | |
| SCHEMBL26292 | 0.55 | — | — | |
| SCHEMBL27689424 | 0.54 | ALDH1A1 (0.37) | — | |
| SCHEMBL10966897 | 0.54 | — | — | |
| SCHEMBL5553538 | 0.54 | — | — |
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-1765886-A1 | METALLOCENE COMPOUNDS, LIGANDS USED IN THEIR PREPARATION, PREPARATION OF 1-BUTENE POLYMERS AND 1-BUTENE POLYMERS THEREFROM | Basell Polyolefine GmbH (DE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006005648-A1 | METALLOCENE COMPOUNDS, LIGANDS USED IN THEIR PREPARATION, PREPARATION OF 1-BUTENE POLYMERS AND 1-BUTENE POLYMERS THEREFROM | BASELL POLYOLEFINE GMBH (DE) | 2006-01-19 | — | — | WO | disclosed |