⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31403231 | 0.70 | — | — | |
| SCHEMBL30764076 | 0.68 | — | — | |
| SCHEMBL30575063 | 0.63 | AR (0.30) | — | |
| SCHEMBL31403238 | 0.62 | — | — | |
| SCHEMBL30764023 | 0.60 | GRM4 (0.33) | — | |
| SCHEMBL3342929 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL3341705 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL30608976 | 0.59 | KMT2A (0.34) | — | |
| SCHEMBL15969608 | 0.51 | — | — | |
| SCHEMBL7640985 | 0.51 | TSHR (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024061118-A1 | MACROCYCLIC NITROGEN-CONTAINING CROWN ETHER COMPOUND AND USE THEREOF AS PROTEIN KINASE INHIBITOR | 科辉智药生物科技（无锡）有限公司 | 2024-03-28 | — | — | WO | disclosed |
| CN-117736198-A | Macrocyclic nitrogen crown ether compounds and their use as protein kinase inhibitors | 科辉智药生物科技(深圳)有限公司 | 2024-03-22 | — | — | CN | disclosed |