⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL502102 | 0.85 | — | — | |
| SCHEMBL501801 | 0.84 | — | — | |
| SCHEMBL501634 | 0.82 | — | — | |
| SCHEMBL501870 | 0.81 | — | — | |
| SCHEMBL18557898 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL21208290 | 0.75 | NLRP3 (0.32) | — | |
| SCHEMBL501567 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL16021375 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL501426 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL22223557 | 0.74 | — | — |
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-2112554-B1 | Sulfonium salt-containing polymer, resist composition, and patterning process | SHINETSU CHEMICAL CO (JP) | 2012-06-06 | — | — | EP | disclosed |