⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25160230 | 0.78 | — | — | |
| SCHEMBL25160965 | 0.74 | — | — | |
| SCHEMBL13448602 | 0.62 | — | — | |
| SCHEMBL12595055 | 0.60 | ADORA2A (0.32) | — | |
| SCHEMBL12597056 | 0.60 | NFE2L2 (0.33) | — | |
| SCHEMBL24835057 | 0.57 | — | — | |
| SCHEMBL1292879 | 0.57 | — | — | |
| SCHEMBL25160198 | 0.55 | MAPT (0.47) | — | |
| SCHEMBL23073439 | 0.55 | — | — | |
| SCHEMBL18404067 | 0.54 | — | — |
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-3397629-B1 | METALLOENZYME INHIBITOR COMPOUNDS | NQP 1598 LTD (KY) | 2023-04-19 | — | — | EP | disclosed |