⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19302255 | 1.00 | — | — | |
| SCHEMBL23155698 | 0.81 | — | — | |
| SCHEMBL12180291 | 0.81 | — | — | |
| SCHEMBL10280200 | 0.81 | — | — | |
| SCHEMBL13084201 | 0.81 | — | — | |
| SCHEMBL12180016 | 0.81 | — | — | |
| SCHEMBL12065072 | 0.81 | — | — | |
| SCHEMBL18998995 | 0.79 | — | — | |
| SCHEMBL16716623 | 0.79 | — | — | |
| SCHEMBL21947764 | 0.79 | — | — |
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-3760632-A1 | PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF | Medshine Discovery Inc. (CN) | 2021-01-06 | — | — | EP | disclosed |