⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL29797590 | 0.84 | — | — | |
| SCHEMBL28089768 | 0.84 | — | — | |
| Water SCHEMBL27528007 | 0.84 | — | — | |
| Water SCHEMBL29797597 | 0.84 | — | — | |
| Water SCHEMBL29797570 | 0.84 | — | — | |
| Water SCHEMBL6455241 | 0.84 | — | — | |
| Water SCHEMBL29116163 | 0.84 | — | — | |
| Water SCHEMBL29199622 | 0.84 | — | — | |
| Water SCHEMBL28587451 | 0.77 | — | — | |
| Water SCHEMBL28601774 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1189506-A | Catalyst for polymerizing alpha-olefin, process for producing alpha-olefin polymer, novel transition metal compound for polymerizing alpha-olefin and catalyst component | MITSUBISHI CHEM CORP (JP) | 1998-08-05 | — | — | CN | disclosed |