⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25160906 | 0.78 | — | — | |
| SCHEMBL20644697 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL20644391 | 0.69 | MAPT (0.45) | — | |
| SCHEMBL25160965 | 0.66 | — | — | |
| SCHEMBL20644525 | 0.66 | MAPT (0.44) | — | |
| SCHEMBL20644382 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL20644554 | 0.65 | NPBWR1 (0.33) | — | |
| SCHEMBL20644511 | 0.63 | MAPT (0.33) | — | |
| SCHEMBL20644373 | 0.62 | — | — | |
| SCHEMBL20644460 | 0.62 | CNR1 (0.32) | — |
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 |