⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL11357140 | 0.57 | — | — | |
| SCHEMBL7560646 | 0.56 | — | — | |
| SCHEMBL27401854 | 0.52 | — | — | |
| Water SCHEMBL27406037 | 0.48 | — | — | |
| Trimethylammonium SCHEMBL27537141 | 0.48 | — | — | |
| Trimethylammonium SCHEMBL284438 | 0.47 | — | — | |
| Trimethylammonium SCHEMBL5310222 | 0.47 | — | — | |
| Trimethylammonium SCHEMBL13989274 | 0.47 | — | — | |
| Trimethylammonium SCHEMBL1331060 | 0.47 | — | — | |
| Trimethylammonium SCHEMBL5582 | 0.47 | — | — |
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-113896880-B | Method for preparing polyether polyol by recycling waste hard polyurethane foam | 万华化学（宁波）有限公司 | 2025-02-18 | — | — | CN | claimed |