⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8063176 | 0.92 | — | — | |
| Butadiene SCHEMBL8523143 | 0.91 | — | — | |
| SCHEMBL7162533 | 0.87 | SIGMAR1 (0.31) | — | |
| SCHEMBL28071333 | 0.85 | SIGMAR1 (0.32) | — | |
| SCHEMBL8061004 | 0.84 | — | — | |
| SCHEMBL8523278 | 0.83 | — | — | |
| SCHEMBL8063142 | 0.81 | — | — | |
| SCHEMBL8063245 | 0.81 | MAOB (0.35) | — | |
| SCHEMBL8045563 | 0.80 | — | — | |
| SCHEMBL8523168 | 0.79 | — | — |
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-0822937-B1 | SYNTHESIS OF GROUP 4 METAL DIENE COMPLEXES | DOW CHEMICAL CO (US) | 2000-05-17 | — | — | EP | disclosed |
| US-5491246-A | Synthesis of group 4 metal diene complexes | THE DOW CHEMICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |