⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29063532 | 0.92 | — | — | |
| SCHEMBL25376153 | 0.83 | AR (0.36) | — | |
| SCHEMBL25376293 | 0.77 | PDCD1 (0.40) | — | |
| SCHEMBL25375441 | 0.73 | RIPK1 (0.32) | — | |
| SCHEMBL2876346 | 0.72 | POLB (0.44) | — | |
| SCHEMBL30570455 | 0.67 | CHRNB2 (0.34) | — | |
| SCHEMBL594936 | 0.66 | — | — | |
| SCHEMBL22747783 | 0.66 | NOS3 (0.38) | — | |
| SCHEMBL22330277 | 0.65 | PYCR1 (0.47) | — | |
| SCHEMBL1242584 | 0.63 | TSHR (0.48) | — |
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-2023160527-A1 | PYRIMIDO AROMATIC RING COMPOUND AND USE THEREOF IN DRUG | 广东东阳光药业股份有限公司 | 2023-08-31 | — | — | WO | disclosed |