⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22212980 | 1.00 | — | — | |
| SCHEMBL18545242 | 0.64 | MAP3K14 (0.33) | — | |
| SCHEMBL3628793 | 0.64 | MAP3K14 (0.33) | — | |
| SCHEMBL455753 | 0.64 | — | — | |
| SCHEMBL19981388 | 0.64 | — | — | |
| SCHEMBL7978446 | 0.62 | — | — | |
| SCHEMBL6016837 | 0.62 | MEN1 (0.30) | — | |
| SCHEMBL12386581 | 0.62 | — | — | |
| SCHEMBL1286153 | 0.62 | — | — | |
| SCHEMBL6179885 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499134-B1 | OXYGEN SCAVENGERS, COMPOSITION COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS | PLASTIPAK PACKAGING INC (US) | 2018-04-18 | — | — | EP | disclosed |
| EP-2483342-B1 | COLORANT COMPATIBLE OXYGEN SCAVENGING POLYMER COMPOSITIONS AND ARTICLES MADE FROM SAME | PLASTIPAK PACKAGING INC (US) | 2017-02-22 | — | — | EP | disclosed |