⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8677498 | 0.90 | — | — | |
| Butadiene SCHEMBL8680869 | 0.84 | — | — | |
| SCHEMBL8681506 | 0.78 | — | — | |
| SCHEMBL8677257 | 0.73 | — | — | |
| SCHEMBL8678170 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL8678344 | 0.69 | — | — | |
| SCHEMBL8678395 | 0.69 | — | — | |
| SCHEMBL8678040 | 0.67 | — | — | |
| SCHEMBL8581525 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL8679227 | 0.63 | — | — |
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 |