⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20861491 | 0.72 | P2RX7 (0.33) | — | |
| SCHEMBL17738289 | 0.63 | — | — | |
| SCHEMBL1270567 | 0.59 | — | — | |
| SCHEMBL1270568 | 0.59 | — | — | |
| SCHEMBL1160746 | 0.56 | — | — | |
| SCHEMBL716158 | 0.56 | — | — | |
| SCHEMBL2041234 | 0.56 | — | — | |
| SCHEMBL6592171 | 0.55 | — | — | |
| SCHEMBL10583251 | 0.55 | — | — | |
| SCHEMBL1115954 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539961-B1 | POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS | ASTRAZENECA AB (SE) | 2021-10-06 | — | — | EP | disclosed |