⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28903101 | 0.76 | — | — | |
| SCHEMBL17784249 | 0.74 | — | — | |
| SCHEMBL15952854 | 0.74 | — | — | |
| SCHEMBL7890350 | 0.72 | — | — | |
| SCHEMBL28362787 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL5581630 | 0.70 | — | — | |
| SCHEMBL295300 | 0.69 | — | — | |
| SCHEMBL486263 | 0.69 | — | — | |
| SCHEMBL29262869 | 0.67 | — | — | |
| Dimethylamine SCHEMBL28876744 | 0.67 | TSHR (0.32) | — |
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-1241233-A | Method for manufacturing packaging board | STRAW ENSO OY (FI) | 2000-01-12 | — | — | CN | disclosed |