⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1861648 | 0.78 | — | — | |
| SCHEMBL6882969 | 0.78 | — | — | |
| SCHEMBL20498123 | 0.78 | — | — | |
| SCHEMBL1198830 | 0.76 | — | — | |
| SCHEMBL20092593 | 0.73 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL4854599 | 0.73 | NPC1 (0.38) | — | |
| SCHEMBL820981 | 0.73 | — | — | |
| SCHEMBL4093001 | 0.70 | GABRR1 (0.39) | — | |
| SCHEMBL11367234 | 0.70 | — | — | |
| SCHEMBL1732966 | 0.66 | HRH3 (0.46) | — |
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-111349105-B | Benzofuran derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-04-07 | — | — | CN | disclosed |