⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3259063 | 0.82 | TSHR (0.62) | — | |
| SCHEMBL1164551 | 0.80 | — | — | |
| SCHEMBL358337 | 0.80 | — | — | |
| SCHEMBL13606400 | 0.79 | TSHR (0.59) | — | |
| SCHEMBL15760567 | 0.78 | — | — | |
| SCHEMBL9191169 | 0.76 | — | — | |
| SCHEMBL2262917 | 0.76 | PDPK1 (0.42) | — | |
| SCHEMBL4407661 | 0.75 | TSHR (0.59) | — | |
| SCHEMBL27298251 | 0.74 | — | — | |
| SCHEMBL25017479 | 0.74 | TSHR (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110066282-B | Pyrazolopyrimidinone compound and preparation method and application thereof | 南开大学 | 2020-07-10 | — | — | CN | disclosed |