⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12313622 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL8572251 | 0.75 | — | — | |
| SCHEMBL28722728 | 0.70 | LMNA (0.40) | — | |
| SCHEMBL6451600 | 0.70 | — | — | |
| SCHEMBL11686522 | 0.69 | — | — | |
| SCHEMBL18503670 | 0.69 | CHRM1 (0.34) | — | |
| SCHEMBL14855811 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL11686526 | 0.69 | — | — | |
| SCHEMBL8942761 | 0.69 | — | — | |
| SCHEMBL9462004 | 0.67 | MLYCD (0.33) | — |
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-1554324-B1 | POLYMER FOR HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR | AGFA GRAPHICS NV (BE) | 2008-05-28 | — | — | EP | disclosed |