⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3112379 | 0.96 | — | — | |
| SCHEMBL8304534 | 0.96 | — | — | |
| SCHEMBL350838 | 0.96 | EPHX2 (0.52) | — | |
| SCHEMBL350839 | 0.96 | EPHX2 (0.52) | — | |
| SCHEMBL19645308 | 0.96 | EPHX2 (0.52) | — | |
| SCHEMBL23748309 | 0.96 | — | — | |
| SCHEMBL19663557 | 0.82 | EPHX2 (0.44) | — | |
| SCHEMBL18849923 | 0.82 | EPHX2 (0.44) | — | |
| SCHEMBL52490 | 0.80 | — | — | |
| SCHEMBL23136777 | 0.80 | — | — |
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 |