⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL665845 | 0.64 | CRBN (0.54) | — | |
| SCHEMBL7472670 | 0.62 | — | — | |
| SCHEMBL20464253 | 0.62 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL20499392 | 0.62 | — | — | |
| SCHEMBL20541953 | 0.57 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL3187336 | 0.55 | — | — | |
| SCHEMBL21626984 | 0.55 | CRBN (0.54) | — | |
| SCHEMBL21055392 | 0.51 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL16256331 | 0.49 | — | — | |
| SCHEMBL22253435 | 0.49 | — | — |
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-2019170050-A1 | 2-THIOMETHYLPYRAZOLOPYRIMIDINONE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 云南大学 | 2019-09-12 | — | — | WO | disclosed |