⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30889138 | 0.82 | TSHR (0.41) | — | |
| SCHEMBL2050009 | 0.81 | — | — | |
| SCHEMBL13456585 | 0.81 | — | — | |
| SCHEMBL1127763 | 0.80 | MAPT (0.50) | — | |
| SCHEMBL28733880 | 0.80 | MAPT (0.50) | — | |
| SCHEMBL25392616 | 0.80 | MAPT (0.50) | — | |
| SCHEMBL10030163 | 0.79 | MAPT (0.46) | — | |
| SCHEMBL12414729 | 0.78 | MAPT (0.48) | — | |
| SCHEMBL309720 | 0.78 | — | — | |
| SCHEMBL4444510 | 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 |