⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25799914 | 0.75 | GRIN2D (0.47) | — | |
| SCHEMBL23165827 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL21515615 | 0.62 | — | — | |
| SCHEMBL21130963 | 0.59 | GRIN2D (0.31) | — | |
| SCHEMBL13123342 | 0.59 | — | — | |
| SCHEMBL22738735 | 0.57 | — | — | |
| SCHEMBL23900491 | 0.57 | — | — | |
| SCHEMBL8215768 | 0.56 | — | — | |
| SCHEMBL11888287 | 0.55 | — | — | |
| SCHEMBL21280997 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023225244-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | BIOGEN MA INC. (US) | 2023-11-23 | — | — | WO | disclosed |