⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23027225 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL26655820 | 0.67 | — | — | |
| SCHEMBL26655829 | 0.61 | — | — | |
| SCHEMBL26655252 | 0.56 | CYP1A2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL23003286 | 0.56 | KDM4E (0.33) | — | |
| SCHEMBL26655281 | 0.55 | KDM4E (0.37) | — | |
| SCHEMBL23027249 | 0.54 | OPRM1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL23003281 | 0.54 | KDM4E (0.36) | — | |
| SCHEMBL13806867 | 0.52 | NPC1 (0.41) | — | |
| SCHEMBL10300848 | 0.51 | CNR2 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3743410-B1 | USE OF PYRIDOXAL ACETAL SALTS AS WATER-TRIGGERED PROFRAGRANCES | FLORIDA GULF COAST UNIV BOARD OF TRUSTEES (US) | 2023-10-25 | — | — | EP | disclosed |