⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30095837 | 0.95 | PDE2A (0.39) | — | |
| SCHEMBL2804826 | 0.95 | PDE2A (0.39) | — | |
| SCHEMBL2786539 | 0.89 | PDE1A (0.42) | — | |
| SCHEMBL30748211 | 0.85 | — | — | |
| SCHEMBL2189832 | 0.82 | ADORA3 (0.43) | — | |
| SCHEMBL30095788 | 0.82 | PDE10A (0.39) | — | |
| SCHEMBL17926576 | 0.81 | HSP90AA1 (0.39) | — | |
| SCHEMBL28701258 | 0.81 | HSP90AA1 (0.49) | — | |
| SCHEMBL30095946 | 0.81 | PDE2A (0.37) | — | |
| SCHEMBL7919917 | 0.80 | CYP1A2 (0.39) | — |
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-117529315-A | Imidazole-containing ALK2 kinase inhibitors | 生物水晶制药公司 | 2024-02-06 | — | — | CN | disclosed |