⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8979478 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL219212 | 0.69 | — | — | |
| Trimethylammonium SCHEMBL30086877 | 0.62 | — | — | |
| Trimethylammonium SCHEMBL1241030 | 0.62 | — | — | |
| Trimethylammonium SCHEMBL29769290 | 0.62 | — | — | |
| Trimethylammonium SCHEMBL29511364 | 0.62 | — | — | |
| Trimethylammonium SCHEMBL216718 | 0.62 | — | — | |
| SCHEMBL21166922 | 0.56 | — | — | |
| SCHEMBL21086661 | 0.56 | — | — | |
| SCHEMBL6064746 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0710663-A1 | Boron-containing compound, its polymer, catalyst comprising the polymer and metallocene compound, and process for producing polyolefin | Japan Polyolefins Co., Ltd. (JP) | 1996-05-08 | — | — | EP | disclosed |