⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15782491 | 0.85 | EPHX1 (0.35) | — | |
| SCHEMBL13461228 | 0.85 | — | — | |
| SCHEMBL15782485 | 0.81 | EPHX1 (0.32) | — | |
| SCHEMBL22172296 | 0.79 | — | — | |
| SCHEMBL19222728 | 0.74 | EPHX1 (0.32) | — | |
| SCHEMBL20279957 | 0.72 | — | — | |
| SCHEMBL19121308 | 0.72 | EPHX1 (0.42) | — | |
| SCHEMBL20306257 | 0.72 | EPHX1 (0.36) | — | |
| SCHEMBL19202354 | 0.72 | — | — | |
| SCHEMBL22294039 | 0.71 | KDM4E (0.30) | — |
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-3601297-B9 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC (US) | 2023-05-24 | — | — | EP | disclosed |