⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL83948 | 0.81 | — | — | |
| Butadiene SCHEMBL6885291 | 0.81 | — | — | |
| Butadiene SCHEMBL7592871 | 0.75 | — | — | |
| SCHEMBL821476 | 0.73 | — | — | |
| SCHEMBL87654 | 0.70 | — | — | |
| SCHEMBL7867045 | 0.69 | MAOB (0.34) | — | |
| Butadiene SCHEMBL8467284 | 0.67 | KMT2A (0.31) | — | |
| Butadiene SCHEMBL8524026 | 0.67 | GPR3 (0.31) | — | |
| SCHEMBL7648731 | 0.67 | HPGD (0.32) | — | |
| Butadiene SCHEMBL7646824 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0971962-B1 | CATALYST SYSTEM FOR HIGH YIELD SYNTHESIS OF POLYOLEFINS | BP CHEM INT LTD (GB) | 2004-02-11 | — | — | EP | disclosed |
| US-6479599-B1 | Catalyst system for high yield synthesis of polyolefins | BP CHEMICALS LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |
| EP-0971962-A1 | CATALYST SYSTEM FOR HIGH YIELD SYNTHESIS OF POLYOLEFINS | THE DOW CHEMICAL COMPANY (US) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998045337-A1 | CATALYST SYSTEM FOR HIGH YIELD SYNTHESIS OF POLYOLEFINS | THE DOW CHEMICAL COMPANY (US) | 1998-10-15 | — | — | WO | disclosed |