⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24344624 | 0.91 | LMNA (0.30) | — | |
| SCHEMBL19361118 | 0.79 | AURKA (0.36) | — | |
| SCHEMBL10027311 | 0.78 | MAPT (0.36) | — | |
| SCHEMBL10027291 | 0.77 | MAPT (0.36) | — | |
| SCHEMBL10027189 | 0.77 | LMNA (0.34) | — | |
| SCHEMBL24345058 | 0.74 | — | — | |
| SCHEMBL17802274 | 0.74 | CHEK1 (0.51) | — | |
| SCHEMBL21577493 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL17808748 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL24344662 | 0.74 | — | — |
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-3227292-B1 | 4H-PYRIDO[1,2-a]PYRIMIDIN-4-ONE COMPOUNDS | ALTERITY THERAPEUTICS LTD (AU) | 2022-03-09 | — | — | EP | disclosed |