⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22186560 | 0.79 | — | — | |
| SCHEMBL22355765 | 0.77 | — | — | |
| SCHEMBL25979830 | 0.77 | — | — | |
| SCHEMBL29345458 | 0.77 | — | — | |
| SCHEMBL18463013 | 0.75 | — | — | |
| SCHEMBL25085480 | 0.70 | — | — | |
| SCHEMBL12284371 | 0.69 | — | — | |
| SCHEMBL25875760 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL29322547 | 0.67 | — | — | |
| SCHEMBL26028862 | 0.67 | — | — |
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-3481817-B1 | SPIROLACTAMS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-08-19 | — | — | EP | disclosed |