⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22021679 | 0.84 | EPHX2 (0.36) | — | |
| SCHEMBL22021900 | 0.80 | EPHX2 (0.36) | — | |
| SCHEMBL22021658 | 0.77 | EPHX2 (0.41) | — | |
| SCHEMBL22021685 | 0.77 | EPHX2 (0.41) | — | |
| SCHEMBL22021680 | 0.77 | EPHX2 (0.41) | — | |
| SCHEMBL22021683 | 0.77 | NAMPT (0.32) | — | |
| SCHEMBL12793200 | 0.73 | EPHX2 (0.36) | — | |
| SCHEMBL17662444 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL22021691 | 0.73 | EPHX2 (0.50) | — | |
| SCHEMBL23639935 | 0.72 | EPHX2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210213012-A1 | COMBINATIONS OF ESTROGEN RECEPTOR DEGRADERS AND CYCLIN-DEPENDENT KINASE INHIBITORS FOR TREATING CANCER | ACCUTAR BIOTECHNOLOGY INC. | 2021-07-15 | — | — | US | disclosed |