⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL76471 | 0.78 | — | — | |
| SCHEMBL76468 | 0.74 | — | — | |
| SCHEMBL76449 | 0.73 | — | — | |
| SCHEMBL74971 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL74968 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL74579 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL76460 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL7741139 | 0.62 | — | — | |
| SCHEMBL12015394 | 0.61 | — | — | |
| SCHEMBL12389942 | 0.60 | — | — |
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-1403295-B1 | Ester compounds, polymers, resist compositions and patterning process | SHINETSU CHEMICAL CO (JP) | 2014-10-22 | — | — | EP | disclosed |