⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19783173 | 0.81 | AR (0.31) | — | |
| SCHEMBL30189891 | 0.81 | AR (0.31) | — | |
| SCHEMBL19783074 | 0.78 | RECQL (0.38) | — | |
| SCHEMBL30189475 | 0.78 | RECQL (0.38) | — | |
| SCHEMBL30189614 | 0.73 | PDE4A (0.36) | — | |
| SCHEMBL19782952 | 0.73 | PDE4A (0.36) | — | |
| SCHEMBL30189726 | 0.71 | L3MBTL1 (0.50) | — | |
| SCHEMBL19783355 | 0.71 | L3MBTL1 (0.50) | — | |
| SCHEMBL794336 | 0.63 | PDE10A (0.36) | — | |
| SCHEMBL30189846 | 0.63 | PDE10A (0.36) | — |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |