⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28948265 | 0.90 | PTGDR2 (0.52) | — | |
| SCHEMBL30171223 | 0.84 | P2RX3 (0.51) | — | |
| SCHEMBL30171165 | 0.81 | OPRD1 (0.52) | — | |
| SCHEMBL28948309 | 0.77 | CREBBP (0.39) | — | |
| SCHEMBL28948345 | 0.77 | PDK2 (0.44) | — | |
| SCHEMBL23701106 | 0.74 | DHFR (0.48) | — | |
| SCHEMBL29875887 | 0.74 | P2RX3 (0.53) | — | |
| SCHEMBL29523070 | 0.74 | PDK2 (0.41) | — | |
| SCHEMBL11845875 | 0.74 | CYP11B2 (0.47) | — | |
| SCHEMBL30119565 | 0.73 | — | — |
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-115677729-A | AAK1 inhibitors | 武汉人福创新药物研发中心有限公司 | 2023-02-03 | — | — | CN | disclosed |