⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13240185 | 0.80 | CYP1A2 (0.36) | — | |
| SCHEMBL12580748 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL12879087 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL13240264 | 0.73 | — | — | |
| SCHEMBL10708716 | 0.72 | — | — | |
| SCHEMBL12516552 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL13240251 | 0.72 | EPHX2 (0.32) | — | |
| SCHEMBL5385513 | 0.70 | — | — | |
| SCHEMBL15546460 | 0.69 | — | — | |
| SCHEMBL15546801 | 0.69 | CYP1A2 (0.33) | — |
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-0171847-B1 | LIQUID, CURABLE COATING COMPOSITION BASED ON A HYDROXYL GROUPS-CONTAINING ADDITION POLYMER AS BINDER | AKZO N.V. (NL) | 1988-06-01 | — | — | EP | disclosed |