⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7776081 | 0.84 | — | — | |
| SCHEMBL7776631 | 0.83 | MEN1 (0.30) | — | |
| SCHEMBL7771864 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL18092970 | 0.75 | KMT2A (0.32) | — | |
| SCHEMBL19277430 | 0.69 | — | — | |
| SCHEMBL417350 | 0.69 | OAT (0.37) | — | |
| SCHEMBL19277433 | 0.69 | — | — | |
| SCHEMBL22563074 | 0.65 | CTSK (0.32) | — | |
| SCHEMBL3399620 | 0.65 | CHRM3 (0.36) | — | |
| SCHEMBL3401937 | 0.64 | CHRM3 (0.35) | — |
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-3416937-B1 | PROCESS FOR PREPARING SPIROGALBANONE | GIVAUDAN SA (CH) | 2020-10-21 | — | — | EP | disclosed |
| WO-2017140607-A1 | PROCESS FOR PREPARING SPIROGALBANONE | GIVAUDAN SA (CH) | 2017-08-24 | — | — | WO | disclosed |