⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31675969 | 0.79 | SLC6A3 (0.33) | — | |
| SCHEMBL179318 | 0.78 | — | — | |
| SCHEMBL344173 | 0.76 | — | — | |
| SCHEMBL2710525 | 0.74 | — | — | |
| SCHEMBL13046072 | 0.74 | — | — | |
| SCHEMBL7660097 | 0.74 | — | — | |
| SCHEMBL12862664 | 0.74 | GRM5 (0.32) | — | |
| SCHEMBL21216514 | 0.74 | — | — | |
| SCHEMBL20738694 | 0.74 | — | — | |
| SCHEMBL26916483 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007048557-A1 | PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2007-05-03 | — | — | WO | disclosed |