⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL12002873 | 0.94 | TSHR (0.50) | — | |
| Pyridine SCHEMBL1598546 | 0.94 | TSHR (0.50) | — | |
| Pyridine SCHEMBL28379730 | 0.94 | TSHR (0.50) | — | |
| Pyrazine SCHEMBL4018721 | 0.94 | TSHR (0.32) | — | |
| Pyridine SCHEMBL28837031 | 0.92 | TSHR (0.47) | — | |
| Pyridine SCHEMBL9503273 | 0.92 | TSHR (0.47) | — | |
| Pyridine SCHEMBL2488390 | 0.92 | TSHR (0.47) | — | |
| Pyridine SCHEMBL28144108 | 0.92 | TSHR (0.47) | — | |
| Pyridine SCHEMBL28635161 | 0.92 | TSHR (0.47) | — | |
| Pyridine SCHEMBL28077724 | 0.92 | TSHR (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-3760632-B1 | PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF | Simcere pharmaceutical co ltd (CN) | 2023-07-19 | — | — | EP | disclosed |