⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL998407 | 0.78 | — | — | |
| SCHEMBL12675478 | 0.74 | — | — | |
| SCHEMBL12319889 | 0.72 | — | — | |
| SCHEMBL20158952 | 0.70 | — | — | |
| SCHEMBL12675479 | 0.70 | — | — | |
| SCHEMBL19431230 | 0.69 | — | — | |
| SCHEMBL4258206 | 0.67 | — | — | |
| SCHEMBL21983470 | 0.67 | — | — | |
| Potassium SCHEMBL30607080 | 0.61 | — | — | |
| SCHEMBL6358676 | 0.61 | ALDH1A1 (0.31) | — |
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-4219651-A1 | COMPOUND OR SALT THEREOF, COMPOSITION, CHEMILUMINESCENCE METHOD, METHOD FOR MEASURING CHEMILUMINESCENCE SIGNAL, REAGENT, REAGENT KIT, AND METHOD FOR ASSAYING ANALYTE | SYSMEX CORPORATION (JP) | 2023-08-02 | — | — | EP | disclosed |