⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1152371 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL4862530 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL4863969 | 0.72 | TP53 (0.33) | — | |
| SCHEMBL10419627 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL3624541 | 0.68 | ANPEP (0.40) | — | |
| SCHEMBL6025866 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL7903417 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL296870 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL27899150 | 0.66 | PKM (0.43) | — | |
| SCHEMBL30641415 | 0.66 | GABRA1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7320854-B2 | Mixture of oxide particles, polymerizable compound,radiation sensitive decomposer and releasing agent | JSR CORPORATION (JP) | 2008-01-22 | — | — | US | disclosed |
| EP-1494072-A2 | Radiation sensitive refractive index changing composition, pattern forming method and optical material | JSR Corporation (JP) | 2005-01-05 | — | — | EP | disclosed |
| US-20040265737-A1 | Radiation sensitive refractive index changing composition, pattern forming method and optical material | JSR CORPORATION (JP) | 2004-12-30 | — | — | US | disclosed |