⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28892319 | 0.92 | — | — | |
| Potassium Ion SCHEMBL1224663 | 0.92 | — | — | |
| SCHEMBL1567183 | 0.92 | — | — | |
| Lithium Ion SCHEMBL30084668 | 0.92 | — | — | |
| Lithium Ion SCHEMBL1567441 | 0.92 | — | — | |
| Zinc Ion SCHEMBL14993489 | 0.92 | — | — | |
| SCHEMBL1567946 | 0.92 | — | — | |
| Silver SCHEMBL9473924 | 0.92 | — | — | |
| SCHEMBL1395646 | 0.92 | — | — | |
| Lithium Ion SCHEMBL31620135 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220411381-A1 | PYRIMIDINEDIONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2022-12-29 | — | — | US | disclosed |
| EP-4038054-A1 | PYRIMIDINEDIONE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2022-08-10 | — | — | EP | disclosed |