⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30164490 | 0.82 | KDM4E (0.40) | — | |
| SCHEMBL24810572 | 0.82 | KDM4E (0.40) | — | |
| SCHEMBL30865601 | 0.80 | KCNJ5 (0.37) | — | |
| SCHEMBL24811598 | 0.80 | KCNJ5 (0.37) | — | |
| SCHEMBL24811604 | 0.76 | KAT2B (0.36) | — | |
| SCHEMBL30865632 | 0.76 | KAT2B (0.36) | — | |
| SCHEMBL23578775 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL24826762 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL24826757 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL30164827 | 0.67 | LMNA (0.32) | — |
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-2022271749-A1 | HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER | BLUEPRINT MEDICINES CORPORATION (US) | 2022-12-29 | — | — | WO | disclosed |