⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9052184 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL9053292 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL660760 | 0.70 | — | — | |
| SCHEMBL20034242 | 0.70 | — | — | |
| SCHEMBL1681830 | 0.68 | MEN1 (0.41) | — | |
| SCHEMBL5789683 | 0.62 | CYP19A1 (0.30) | — | |
| SCHEMBL7149090 | 0.59 | LMNA (0.31) | — | |
| SCHEMBL15533578 | 0.59 | MEN1 (0.30) | — | |
| SCHEMBL1642593 | 0.59 | CYP3A4 (0.41) | — | |
| SCHEMBL1681776 | 0.59 | LMNA (0.31) | — |
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 |