⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31047148 | 0.74 | TP53 (0.50) | — | |
| SCHEMBL16062855 | 0.73 | — | — | |
| SCHEMBL159531 | 0.73 | — | — | |
| SCHEMBL2806245 | 0.73 | HCAR2 (0.61) | — | |
| SCHEMBL4401724 | 0.73 | ALDH1A1 (0.54) | — | |
| SCHEMBL3823346 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL24027161 | 0.71 | — | — | |
| SCHEMBL4901838 | 0.71 | — | — | |
| SCHEMBL20928817 | 0.71 | — | — | |
| SCHEMBL893079 | 0.71 | — | — |
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-0002881-A1 | 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them | FISONS plc (GB) | 1979-07-11 | — | — | EP | claimed |
| EP-0002881-A1 | 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them | FISONS plc (GB) | 1979-07-11 | — | — | EP | disclosed |