⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7875654 | 0.72 | — | — | |
| Butadiene SCHEMBL43684 | 0.63 | — | — | |
| Butadiene SCHEMBL28451 | 0.63 | — | — | |
| Butadiene SCHEMBL2933701 | 0.63 | — | — | |
| SCHEMBL523345 | 0.58 | — | — | |
| SCHEMBL43443 | 0.54 | — | — | |
| SCHEMBL3931 | 0.53 | — | — | |
| SCHEMBL1631 | 0.50 | — | — | |
| SCHEMBL6291935 | 0.50 | — | — | |
| SCHEMBL6295412 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004047989-A1 | BRIDGED METALLOCENE CATALYST COMPOUNDS FOR OLEFIN POLYMERIZATION | UNIVATION TECHNOLOGIES, LLC (US) | 2004-06-10 | — | — | WO | disclosed |
| US-20030104928-A1 | Bridged metallocene catalyst compounds for olefin polymerization | UNIVATION TECHNOLOGIES LLC | 2003-06-05 | — | — | US | disclosed |