⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6384588 | 0.73 | — | — | |
| SCHEMBL17801586 | 0.71 | — | — | |
| SCHEMBL8580937 | 0.69 | — | — | |
| SCHEMBL6175762 | 0.68 | — | — | |
| SCHEMBL12841653 | 0.67 | — | — | |
| SCHEMBL6381377 | 0.67 | — | — | |
| SCHEMBL6178950 | 0.67 | — | — | |
| SCHEMBL127041 | 0.67 | — | — | |
| SCHEMBL6378487 | 0.65 | NPC1 (0.34) | — | |
| SCHEMBL6379863 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115515953-A | Novel imidazolidinone derivatives as inhibitors of protein kinases, in particular DYRK1A, CLK1 and/or CLK4 | 珀哈制药公司 | 2022-12-23 | — | — | CN | disclosed |