⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6587010 | 0.97 | — | — | |
| SCHEMBL8190497 | 0.97 | — | — | |
| SCHEMBL22834426 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL21834466 | 0.92 | — | — | |
| SCHEMBL8198716 | 0.89 | — | — | |
| SCHEMBL6591820 | 0.89 | — | — | |
| Trimethylammonium SCHEMBL28166318 | 0.87 | — | — | |
| SCHEMBL8763444 | 0.86 | GAA (0.33) | — | |
| SCHEMBL8763055 | 0.86 | — | — | |
| SCHEMBL6591488 | 0.79 | — | — |
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-115521998-B | Triazine type chromium-free tanning agent and preparation method and application thereof | 南京工业大学 | 2024-01-02 | — | — | CN | disclosed |