⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5665756 | 0.86 | — | — | |
| SCHEMBL5667920 | 0.85 | — | — | |
| SCHEMBL1218545 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL25690269 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL25690273 | 0.77 | THRB (0.32) | — | |
| SCHEMBL1216966 | 0.72 | — | — | |
| SCHEMBL25690347 | 0.71 | — | — | |
| SCHEMBL23651658 | 0.70 | — | — | |
| SCHEMBL2754973 | 0.70 | — | — | |
| SCHEMBL685840 | 0.70 | KDM4E (0.32) | — |
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-20060160247-A1 | Unsaturated carboxylic acid hemicacetal ester, polymeric compound and photoresist resin composition | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2006-07-20 | — | — | US | disclosed |