⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10133987 | 0.67 | — | — | |
| SCHEMBL19593588 | 0.61 | — | — | |
| SCHEMBL13216523 | 0.56 | NPSR1 (0.36) | — | |
| SCHEMBL18674867 | 0.55 | DHFR (0.32) | — | |
| SCHEMBL13866760 | 0.55 | — | — | |
| SCHEMBL19149149 | 0.55 | — | — | |
| SCHEMBL24131849 | 0.52 | — | — | |
| SCHEMBL22868184 | 0.50 | — | — | |
| SCHEMBL25430945 | 0.48 | — | — | |
| SCHEMBL4361728 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3216786-A1 | PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | Shanghai Shaletech Technology Co., Ltd. (CN) | 2017-09-13 | — | — | EP | disclosed |