⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13580548 | 0.78 | MGAM (0.36) | — | |
| SCHEMBL891965 | 0.78 | — | — | |
| SCHEMBL9070602 | 0.77 | — | — | |
| SCHEMBL8998105 | 0.72 | — | — | |
| SCHEMBL139642 | 0.69 | — | — | |
| SCHEMBL1275869 | 0.69 | — | — | |
| SCHEMBL8680933 | 0.69 | — | — | |
| SCHEMBL17040569 | 0.69 | — | — | |
| SCHEMBL120095 | 0.67 | — | — | |
| SCHEMBL21195068 | 0.67 | ALOX15 (0.36) | — |
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 |