⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8526661 | 0.77 | — | — | |
| SCHEMBL9060873 | 0.74 | — | — | |
| SCHEMBL22734890 | 0.74 | — | — | |
| SCHEMBL16428748 | 0.71 | — | — | |
| SCHEMBL2234666 | 0.70 | — | — | |
| SCHEMBL2160821 | 0.69 | — | — | |
| SCHEMBL56534 | 0.67 | — | — | |
| SCHEMBL19667913 | 0.67 | — | — | |
| SCHEMBL56266 | 0.67 | — | — | |
| SCHEMBL380860 | 0.67 | LMNA (0.30) | — |
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-1897880-A1 | 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-03-12 | — | — | EP | disclosed |