⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18792544 | 0.80 | — | — | |
| SCHEMBL23370786 | 0.77 | — | — | |
| SCHEMBL24884438 | 0.76 | — | — | |
| SCHEMBL21316480 | 0.74 | — | — | |
| SCHEMBL22702108 | 0.72 | — | — | |
| SCHEMBL19988830 | 0.70 | ADH1B (0.32) | — | |
| SCHEMBL12964265 | 0.70 | — | — | |
| SCHEMBL19521625 | 0.69 | — | — | |
| SCHEMBL19788041 | 0.69 | — | — | |
| SCHEMBL18610300 | 0.69 | — | — |
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-3689871-B1 | 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2021-09-29 | — | — | EP | disclosed |