⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8679099 | 0.70 | — | — | |
| SCHEMBL302692 | 0.70 | — | — | |
| SCHEMBL20598782 | 0.65 | — | — | |
| SCHEMBL5443 | 0.65 | — | — | |
| SCHEMBL8155373 | 0.61 | — | — | |
| SCHEMBL28818485 | 0.60 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL29658831 | 0.60 | — | — | |
| SCHEMBL231180 | 0.56 | — | — | |
| SCHEMBL10346092 | 0.56 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL22634703 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5726332-A | Synthesis of novel organometallics and their use in olefin polymerization | WITCO GMBH (DE) | 1998-03-10 | — | — | US | claimed |
| US-5726332-A | Synthesis of novel organometallics and their use in olefin polymerization | WITCO GMBH (DE) | 1998-03-10 | — | — | US | disclosed |