⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13500694 | 0.76 | — | — | |
| SCHEMBL1199564 | 0.58 | — | — | |
| SCHEMBL6889392 | 0.57 | — | — | |
| SCHEMBL14397970 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL3980439 | 0.55 | MAPT (0.36) | — | |
| SCHEMBL16291487 | 0.54 | — | — | |
| SCHEMBL7916659 | 0.52 | — | — | |
| SCHEMBL16751261 | 0.51 | — | — | |
| SCHEMBL2432407 | 0.47 | — | — | |
| SCHEMBL12973030 | 0.47 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4692089-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AS AAK1 INHIBITOR | Alicorn Pharmaceutical Co., Ltd. (CN) | 2026-02-11 | — | — | EP | disclosed |
| CN-118772152-A | Azacyclic compounds as AAK1 inhibitors | 艾立康药业股份有限公司 | 2024-10-15 | — | — | CN | disclosed |
| WO-2024207945-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AS AAK1 INHIBITOR | 艾立康药业股份有限公司 | 2024-10-10 | — | — | WO | disclosed |