⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4596771 | 0.92 | FDPS (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL21218812 | 0.87 | FDPS (0.45) | — | |
| SCHEMBL6288167 | 0.84 | FDPS (0.40) | — | |
| SCHEMBL6235108 | 0.81 | — | — | |
| SCHEMBL6285853 | 0.79 | — | — | |
| SCHEMBL2638381 | 0.79 | FDPS (0.37) | — | |
| SCHEMBL6279226 | 0.79 | FDPS (0.48) | — | |
| SCHEMBL28791881 | 0.77 | FDPS (0.50) | — | |
| SCHEMBL28394759 | 0.77 | FDPS (0.50) | — | |
| SCHEMBL30787115 | 0.77 | FDPS (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 15 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 |
| EP-4605371-A1 | POLYOL-DERIVED COMPOUNDS | Arxada AG (CH) | 2025-08-27 | — | — | EP | disclosed |
| WO-2025074001-A2 | ENZYMATIC REDUCTION OF ACETOACETATE | ARXADA AG (CH) | 2025-04-10 | — | — | WO | disclosed |
| US-20250066408-A1 | Polyol-Derived Compounds | ARXADA AG (CH) | 2025-02-27 | — | — | US | disclosed |
| US-20250002446-A1 | Acetoacetate Based Ketals | ARXADA AG (CH) | 2025-01-02 | — | — | US | disclosed |
| US-20240336646-A1 | Polyol-Derived Compounds | ARXADA AG (CH) | 2024-10-10 | — | — | US | disclosed |
| EP-4412987-A1 | ACETOACETATE BASED KETALS | Arxada AG (CH) | 2024-08-14 | — | — | EP | disclosed |
| EP-4405324-A1 | POLYOL-DERIVED COMPOUNDS | Arxada AG (CH) | 2024-07-31 | — | — | EP | disclosed |
| WO-2024083889-A1 | POLYOL-DERIVED COMPOUNDS | ARXADA AG (CH) | 2024-04-25 | — | — | WO | disclosed |
| WO-2023094654-A1 | ACETOACETATE BASED KETALS | ARXADA AG (CH) | 2023-06-01 | — | — | WO | disclosed |
| WO-2023083570-A1 | POLYOL-DERIVED COMPOUNDS | ARXADA AG (CH) | 2023-05-19 | — | — | WO | disclosed |
| EP-0542680-B1 | Protected formylpentanediols and protected hydroxymethylpentanediols, process for their preparation and intermediates | CIBA GEIGY AG (CH) | 1998-01-28 | — | — | EP | disclosed |
| US-5274157-A | Protected formylpentanediols, hydroxymethylpentanediols, process for their preparation and intermediates | CIBA-GEIGY CORPORATION (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0542680-A1 | Protected formylpentanediols and protected hydroxymethylpentanediols, process for their preparation and intermediates | CIBA-GEIGY AG (CH) | 1993-05-19 | — | — | EP | disclosed |
| US-5075699-A | High speed printing with ink containing water, water-soluble organic solvents and antifoam agents | CANON KABUSHIKI KAISHA (JP) | 1991-12-24 | — | — | US | disclosed |