⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297535 | 0.91 | — | — | |
| Water SCHEMBL28233673 | 0.83 | — | — | |
| Methyl Alcohol SCHEMBL30643481 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL27422886 | 0.73 | — | — | |
| SCHEMBL28752908 | 0.68 | — | — | |
| Trimethylammonium SCHEMBL27876903 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL284438 | 0.61 | — | — | |
| Trimethylammonium SCHEMBL5582 | 0.61 | — | — | |
| SCHEMBL24599032 | 0.58 | — | — | |
| SCHEMBL32681140 | 0.58 | — | — |
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-106715539-A | Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization | 住友化学株式会社 | 2017-05-24 | — | — | CN | disclosed |