⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29329743 | 0.97 | — | — | |
| SCHEMBL29329751 | 0.96 | — | — | |
| SCHEMBL29329838 | 0.91 | — | — | |
| SCHEMBL29329842 | 0.91 | HRH3 (0.32) | — | |
| SCHEMBL29329745 | 0.83 | GSK3B (0.30) | — | |
| SCHEMBL29329747 | 0.83 | — | — | |
| SCHEMBL29329753 | 0.82 | GSK3B (0.30) | — | |
| SCHEMBL29329756 | 0.80 | GSK3B (0.32) | — | |
| SCHEMBL29329628 | 0.79 | CHEK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL30991993 | 0.75 | CDK2 (0.39) | — |
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 |