⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55417 | 0.67 | — | — | |
| SCHEMBL28606266 | 0.63 | — | — | |
| SCHEMBL6410785 | 0.63 | — | — | |
| SCHEMBL27984380 | 0.61 | — | — | |
| SCHEMBL24815754 | 0.59 | — | — | |
| SCHEMBL1553067 | 0.59 | — | — | |
| SCHEMBL1993183 | 0.59 | — | — | |
| SCHEMBL9427306 | 0.59 | — | — | |
| SCHEMBL59816 | 0.58 | — | — | |
| SCHEMBL11878671 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980381-A | Substituted uracils and use thereof | 拜耳医药股份有限公司 | 2016-09-28 | — | — | CN | disclosed |