⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23251029 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL17888678 | 0.75 | DUT (0.33) | — | |
| SCHEMBL29124105 | 0.73 | — | — | |
| SCHEMBL29124103 | 0.73 | — | — | |
| SCHEMBL22262713 | 0.72 | — | — | |
| SCHEMBL30528612 | 0.71 | DUT (0.30) | — | |
| SCHEMBL8829066 | 0.70 | KCNH2 (0.33) | — | |
| SCHEMBL1555229 | 0.70 | — | — | |
| SCHEMBL2904174 | 0.70 | — | — | |
| SCHEMBL15913434 | 0.70 | — | — |
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-2022271612-A1 | HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER | BLUEPRINT MEDICINES CORPORATION (US) | 2022-12-29 | — | — | WO | disclosed |