⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31405425 | 0.79 | — | — | |
| SCHEMBL22893330 | 0.79 | — | — | |
| SCHEMBL29958923 | 0.79 | — | — | |
| SCHEMBL25763824 | 0.79 | — | — | |
| SCHEMBL25763823 | 0.79 | — | — | |
| SCHEMBL152116 | 0.79 | — | — | |
| SCHEMBL28248239 | 0.77 | — | — | |
| SCHEMBL4440374 | 0.75 | — | — | |
| SCHEMBL13769915 | 0.74 | — | — | |
| SCHEMBL14973477 | 0.74 | ALDH1A1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250320175-A1 | Acetoacetate Based Ketals | ARXADA AG (CH) | 2025-10-16 | — | — | US | disclosed |
| US-20250002446-A1 | Acetoacetate Based Ketals | ARXADA AG (CH) | 2025-01-02 | — | — | US | disclosed |
| EP-4412987-A1 | ACETOACETATE BASED KETALS | Arxada AG (CH) | 2024-08-14 | — | — | EP | disclosed |
| WO-2023094654-A1 | ACETOACETATE BASED KETALS | ARXADA AG (CH) | 2023-06-01 | — | — | WO | disclosed |