⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30639334 | 0.90 | LATS1 (0.33) | — | |
| SCHEMBL14734141 | 0.90 | LATS1 (0.33) | — | |
| SCHEMBL373964 | 0.84 | — | — | |
| SCHEMBL29277041 | 0.84 | PDE4B (0.34) | — | |
| SCHEMBL30678844 | 0.84 | PDE4B (0.34) | — | |
| SCHEMBL31630700 | 0.80 | — | — | |
| SCHEMBL31630519 | 0.79 | JAK2 (0.33) | — | |
| SCHEMBL31084052 | 0.78 | STK17B (0.34) | — | |
| SCHEMBL31622413 | 0.77 | — | — | |
| SCHEMBL19624252 | 0.76 | — | — |
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-2025124557-A1 | DEUTERATED HETEROCYCLIC COMPOUND ACTING AS PDE4B INHIBITOR AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2025-06-19 | — | — | WO | disclosed |
| CN-120157682-A | Deuterated heterocyclic compounds as PDE4B inhibitors and uses thereof | 武汉人福创新药物研发中心有限公司 | 2025-06-17 | — | — | CN | disclosed |