⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20055081 | 0.75 | — | — | |
| SCHEMBL19756465 | 0.71 | CYP2D6 (0.31) | — | |
| SCHEMBL24938351 | 0.71 | HRH3 (0.33) | — | |
| SCHEMBL12403228 | 0.71 | HRH3 (0.33) | — | |
| SCHEMBL24086861 | 0.70 | — | — | |
| SCHEMBL21651945 | 0.68 | — | — | |
| SCHEMBL23514642 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL10254957 | 0.67 | HRH3 (0.32) | — | |
| SCHEMBL24669047 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL21210713 | 0.67 | HRH3 (0.32) | — |
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-2024108155-A2 | COMPOUNDS, COMPOSITIONS, AND METHODS | DENALI THERAPEUTICS INC. (US) | 2024-05-23 | — | — | WO | disclosed |