⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL636656 | 0.79 | — | — | |
| SCHEMBL9718360 | 0.77 | — | — | |
| SCHEMBL6841296 | 0.77 | — | — | |
| SCHEMBL11501282 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL27735934 | 0.70 | — | — | |
| SCHEMBL11593267 | 0.69 | GRIK1 (0.34) | — | |
| SCHEMBL7110107 | 0.69 | GRIK1 (0.31) | — | |
| SCHEMBL10757691 | 0.67 | — | — | |
| SCHEMBL5809283 | 0.67 | — | — | |
| SCHEMBL9718371 | 0.66 | — | — |
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-1359008-A1 | Radiation-sensitive mixture and recording material using this mixture | Agfa-Gevaert (BE) | 2003-11-05 | — | — | EP | disclosed |