⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6905685 | 0.84 | KDM4E (0.36) | — | |
| SCHEMBL6908704 | 0.80 | CYP2D6 (0.31) | — | |
| SCHEMBL1524810 | 0.78 | — | — | |
| SCHEMBL6907876 | 0.75 | OPRM1 (0.32) | — | |
| SCHEMBL14478291 | 0.75 | — | — | |
| SCHEMBL8528473 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL6204634 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL14737374 | 0.72 | — | — | |
| SCHEMBL6907898 | 0.72 | — | — | |
| SCHEMBL18082616 | 0.72 | GABRR1 (0.37) | — |
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-1066337-B1 | OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS | CHEVRON PHILLIPS CHEMICAL CO (US) | 2004-11-03 | — | — | EP | claimed |