⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24368263 | 0.80 | — | — | |
| SCHEMBL21315946 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL19188038 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL22084553 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL23256183 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL21183634 | 0.62 | — | — | |
| SCHEMBL3884426 | 0.61 | ALDH1A1 (0.50) | — | |
| SCHEMBL1460677 | 0.61 | — | — | |
| SCHEMBL25829429 | 0.61 | — | — | |
| SCHEMBL24368206 | 0.59 | — | — |
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-2022083731-A1 | FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2022-04-28 | — | — | WO | disclosed |