⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1399779 | 1.00 | — | — | |
| SCHEMBL4281277 | 0.81 | — | — | |
| SCHEMBL7973621 | 0.79 | — | — | |
| SCHEMBL5973058 | 0.77 | — | — | |
| SCHEMBL21122388 | 0.74 | POLB (0.30) | — | |
| SCHEMBL5699527 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL5699504 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL20789205 | 0.70 | — | — | |
| SCHEMBL3098668 | 0.68 | — | — | |
| SCHEMBL5699490 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2181999-A1 | Method of manufacturing ruboxistarin | Zentiva, A.S. (CZ) | 2010-05-05 | — | — | EP | disclosed |
| EP-2181999-A1 | Method of manufacturing ruboxistarin | Zentiva, A.S. (CZ) | 2010-05-05 | — | — | EP | disclosed |