⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4572647 | 0.69 | CHRNB2 (0.34) | — | |
| SCHEMBL19277433 | 0.66 | — | — | |
| SCHEMBL22563074 | 0.66 | CTSK (0.32) | — | |
| SCHEMBL13182376 | 0.65 | — | — | |
| Acetone SCHEMBL22733484 | 0.56 | BRD4 (0.44) | — | |
| SCHEMBL20568003 | 0.56 | GRIN1 (0.38) | — | |
| SCHEMBL23168692 | 0.55 | GRIN1 (0.40) | — | |
| SCHEMBL19174271 | 0.55 | GRIN1 (0.40) | — | |
| SCHEMBL19277430 | 0.54 | — | — | |
| SCHEMBL417350 | 0.54 | OAT (0.37) | — |
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-3416937-B1 | PROCESS FOR PREPARING SPIROGALBANONE | GIVAUDAN SA (CH) | 2020-10-21 | — | — | EP | disclosed |