⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5009882 | 0.77 | — | — | |
| SCHEMBL7368227 | 0.77 | — | — | |
| SCHEMBL10078226 | 0.77 | — | — | |
| SCHEMBL10998017 | 0.70 | GSK3B (0.46) | — | |
| SCHEMBL2093531 | 0.69 | GSK3B (0.32) | — | |
| SCHEMBL10582977 | 0.69 | MEN1 (0.49) | — | |
| SCHEMBL9255277 | 0.65 | — | — | |
| SCHEMBL13452605 | 0.63 | GPR35 (0.34) | — | |
| SCHEMBL9209273 | 0.63 | HDAC3 (0.47) | — | |
| SCHEMBL15029060 | 0.63 | HDAC3 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4992534-A | Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-02-12 | — | — | US | disclosed |
| EP-0303269-A2 | 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-02-15 | — | — | EP | disclosed |