⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32687842 | 0.85 | MGAM (0.41) | — | |
| SCHEMBL18940871 | 0.83 | NPSR1 (0.30) | — | |
| SCHEMBL26939219 | 0.81 | CYP2C19 (0.31) | — | |
| SCHEMBL1402155 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL26939206 | 0.80 | CYP2C19 (0.34) | — | |
| SCHEMBL2611791 | 0.79 | OPRM1 (0.33) | — | |
| SCHEMBL47303 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL12783033 | 0.78 | CYP3A4 (0.33) | — | |
| SCHEMBL13613885 | 0.77 | — | — | |
| SCHEMBL13925835 | 0.77 | KDM4E (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-3229075-B1 | PHOTORESIST COMPOSITION, METHOD FOR MANUFACTURING SAME, AND METHOD FOR FORMING RESIST PATTERN | JSR CORP (JP) | 2021-01-06 | — | — | EP | disclosed |