⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25803393 | 0.78 | APLNR (0.30) | — | |
| SCHEMBL5436605 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL5443231 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL5436601 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL26769504 | 0.75 | EPHX1 (0.39) | — | |
| SCHEMBL10217205 | 0.73 | FUCA1 (0.32) | — | |
| SCHEMBL10217256 | 0.73 | FUCA1 (0.32) | — | |
| SCHEMBL25777236 | 0.72 | — | — | |
| SCHEMBL13820483 | 0.70 | — | — | |
| SCHEMBL13820469 | 0.70 | — | — |
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-6080750-A | FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS | NIPPON SHOJI KAISHA LTD. (JP) | 2000-06-27 | — | — | US | disclosed |
| EP-0806418-A2 | Novel pyrimidine compound and anti-rotavirus agent | NIPPON SHOJI KAISHA, LIMITED (JP) | 1997-11-12 | — | — | EP | disclosed |