⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9811791 | 0.85 | THRB (0.41) | — | |
| SCHEMBL7199881 | 0.83 | TSHR (0.41) | — | |
| SCHEMBL5386098 | 0.81 | POLB (0.36) | — | |
| SCHEMBL13571629 | 0.80 | PPM1B (0.32) | — | |
| SCHEMBL6323292 | 0.79 | PPM1B (0.47) | — | |
| SCHEMBL13571377 | 0.78 | USP2 (0.31) | — | |
| SCHEMBL230605 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL6322622 | 0.77 | MAPK1 (0.40) | — | |
| SCHEMBL13571261 | 0.77 | USP2 (0.30) | — | |
| SCHEMBL6324852 | 0.76 | USP2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106662817-B | Photosensitive composition and cured film thereof | 大阪有机化学工业株式会社 | 2020-01-21 | — | — | CN | disclosed |