⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20691782 | 0.82 | — | — | |
| SCHEMBL18714090 | 0.75 | — | — | |
| SCHEMBL20820946 | 0.73 | — | — | |
| SCHEMBL18758178 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL23974084 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL20691777 | 0.71 | — | — | |
| SCHEMBL18758177 | 0.71 | — | — | |
| SCHEMBL22402848 | 0.68 | — | — | |
| SCHEMBL19261137 | 0.65 | MEN1 (0.34) | — | |
| SCHEMBL18634199 | 0.64 | THRB (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 |
|---|---|---|---|---|---|---|---|
| US-20190033716-A1 | SULFONIUM SALT, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2019-01-31 | — | — | US | disclosed |