⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6498249 | 0.78 | — | — | |
| SCHEMBL8934804 | 0.77 | — | — | |
| SCHEMBL4595716 | 0.76 | — | — | |
| SCHEMBL234758 | 0.75 | — | — | |
| SCHEMBL6675939 | 0.74 | — | — | |
| SCHEMBL996199 | 0.74 | — | — | |
| SCHEMBL19867882 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL5302839 | 0.73 | — | — | |
| Water SCHEMBL27647075 | 0.72 | — | — | |
| SCHEMBL326787 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912562-A1 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998003505-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-29 | — | — | WO | disclosed |