⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4752267 | 0.74 | — | — | |
| SCHEMBL5263963 | 0.71 | — | — | |
| SCHEMBL618618 | 0.67 | — | — | |
| SCHEMBL10850901 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL10153255 | 0.61 | — | — | |
| SCHEMBL844526 | 0.61 | — | — | |
| SCHEMBL12808170 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL3844858 | 0.58 | — | — | |
| SCHEMBL15304875 | 0.58 | — | — | |
| SCHEMBL441187 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-103958475-B | Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-25 | — | — | CN | disclosed |