⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29329466 | 0.96 | — | — | |
| SCHEMBL29329568 | 0.93 | OPRM1 (0.31) | — | |
| SCHEMBL29329463 | 0.93 | — | — | |
| SCHEMBL29329236 | 0.90 | OPRM1 (0.33) | — | |
| SCHEMBL29329233 | 0.77 | — | — | |
| SCHEMBL29329321 | 0.77 | CDC7 (0.31) | — | |
| SCHEMBL29329333 | 0.76 | — | — | |
| SCHEMBL29329572 | 0.75 | — | — | |
| SCHEMBL29329229 | 0.75 | — | — | |
| SCHEMBL29329325 | 0.74 | — | — |
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-2024151112-A1 | PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR | 주식회사 티움바이오 | 2024-07-18 | — | — | WO | disclosed |