⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25050066 | 0.79 | KDM1A (0.31) | — | |
| Hydrochloric Acid SCHEMBL3589810 | 0.77 | KDM1A (0.30) | — | |
| SCHEMBL25030969 | 0.77 | IRAK4 (0.40) | — | |
| SCHEMBL23155697 | 0.77 | IRAK4 (0.40) | — | |
| SCHEMBL21166083 | 0.76 | — | — | |
| SCHEMBL25157165 | 0.76 | — | — | |
| SCHEMBL16579988 | 0.75 | — | — | |
| SCHEMBL18519348 | 0.75 | — | — | |
| SCHEMBL3600417 | 0.75 | — | — | |
| SCHEMBL1372769 | 0.73 | — | — |
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-2023016529-A1 | NAPHTHYRIDINE DERIVATIVE AS ATR INHIBITOR AND METHOD FOR PREPARING SAME | 微境生物医药科技(上海)有限公司 | 2023-02-16 | — | — | WO | disclosed |