⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27334709 | 0.95 | — | — | |
| SCHEMBL212074 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL2573881 | 0.90 | — | — | |
| SCHEMBL9256851 | 0.90 | — | — | |
| SCHEMBL10720327 | 0.90 | — | — | |
| SCHEMBL9876060 | 0.86 | — | — | |
| Isopropyl Alcohol SCHEMBL29057744 | 0.76 | — | — | |
| Butane SCHEMBL11419792 | 0.76 | — | — | |
| SCHEMBL16577154 | 0.70 | — | — | |
| SCHEMBL14589695 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103958521-B | Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases | 弗·哈夫曼-拉罗切有限公司 | 2016-10-19 | — | — | CN | disclosed |