⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8678344 | 0.88 | — | — | |
| SCHEMBL8681506 | 0.85 | — | — | |
| Butadiene SCHEMBL8680869 | 0.75 | — | — | |
| Butadiene SCHEMBL9004326 | 0.75 | POLB (0.31) | — | |
| Butadiene SCHEMBL8678411 | 0.71 | RAB9A (0.34) | — | |
| Butadiene SCHEMBL8679120 | 0.69 | — | — | |
| Butadiene SCHEMBL8678496 | 0.66 | — | — | |
| Butadiene SCHEMBL8680724 | 0.66 | — | — | |
| SCHEMBL8678661 | 0.64 | — | — | |
| SCHEMBL8677195 | 0.61 | RAB9A (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5770538-A | Group 4 metal diene complexes and addition polymerization catalysts therefrom | THE DOW CHEMICAL COMPANY (US) | 1998-06-23 | — | — | US | disclosed |
| US-5539068-A | Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom | THE DOW CHEMICAL COMPANY (US) | 1996-07-23 | — | — | US | disclosed |
| US-5486632-A | Group 4 metal diene complexes and addition polymerization catalysts therefrom | THE DOW CHEMICAL COMPANY (US) | 1996-01-23 | — | — | US | disclosed |