⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5864241 | 0.85 | — | — | |
| SCHEMBL18432829 | 0.81 | NCF1 (0.35) | — | |
| SCHEMBL5864278 | 0.80 | SIGMAR1 (0.34) | — | |
| SCHEMBL5864438 | 0.78 | — | — | |
| SCHEMBL6905486 | 0.77 | — | — | |
| SCHEMBL17141367 | 0.77 | FYN (0.38) | — | |
| SCHEMBL5864382 | 0.75 | BRD4 (0.35) | — | |
| SCHEMBL6331617 | 0.75 | — | — | |
| SCHEMBL15088552 | 0.74 | — | — | |
| SCHEMBL18432828 | 0.74 | LMNA (0.35) | — |
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 |