⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL727774 | 0.81 | — | — | |
| SCHEMBL21499767 | 0.77 | — | — | |
| SCHEMBL23652088 | 0.74 | — | — | |
| SCHEMBL19707863 | 0.74 | — | — | |
| SCHEMBL4318488 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL17115243 | 0.73 | — | — | |
| SCHEMBL727837 | 0.72 | — | — | |
| SCHEMBL18973968 | 0.71 | — | — | |
| SCHEMBL18973949 | 0.71 | — | — | |
| SCHEMBL22910822 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081501-A1 | PREPARATION OF RETORT PACKAGING INK THROUGH INCORPORATION OF POLYETHYLENE GLYCOL INTO POLYURETHANE RESINS | BASF SE (DE) | 2018-05-03 | — | — | WO | disclosed |