⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10345583 | 0.94 | HDAC4 (0.38) | — | |
| SCHEMBL30889155 | 0.92 | HDAC4 (0.37) | — | |
| SCHEMBL21616472 | 0.92 | HDAC4 (0.37) | — | |
| SCHEMBL30889134 | 0.84 | — | — | |
| SCHEMBL2184201 | 0.82 | HDAC4 (0.39) | — | |
| SCHEMBL19813510 | 0.80 | — | — | |
| SCHEMBL933788 | 0.80 | — | — | |
| SCHEMBL30889133 | 0.79 | — | — | |
| SCHEMBL30889147 | 0.78 | — | — | |
| SCHEMBL22639081 | 0.78 | — | — |
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-2024094637-A1 | PROCESS FOR THE PREPARATION OF CYCLIC KETONES | ARXADA AG (CH) | 2024-05-10 | — | — | WO | disclosed |