⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31338542 | 0.75 | — | — | |
| SCHEMBL9707588 | 0.75 | — | — | |
| SCHEMBL9837478 | 0.73 | — | — | |
| SCHEMBL31338545 | 0.72 | HTT (0.33) | — | |
| SCHEMBL31338529 | 0.70 | ADORA3 (0.30) | — | |
| SCHEMBL16207594 | 0.68 | — | — | |
| SCHEMBL5224569 | 0.65 | — | — | |
| SCHEMBL28984166 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL28902208 | 0.63 | — | — | |
| SCHEMBL2191847 | 0.61 | — | — |
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-119019336-A | 4-Hydroxy-5-phenylaminoimidazole compound, and preparation method and application thereof | 浙大城市学院 | 2024-11-26 | — | — | CN | disclosed |