⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12857269 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL12867787 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL12857195 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL13952728 | 0.69 | EPHX2 (0.37) | — | |
| SCHEMBL12809041 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL18176998 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL27414255 | 0.66 | MEN1 (0.44) | — | |
| SCHEMBL13079619 | 0.66 | ALDH1A1 (0.46) | — | |
| SCHEMBL17056241 | 0.63 | — | — | |
| SCHEMBL12389983 | 0.63 | ALDH1A1 (0.34) | — |
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-2293143-A2 | Novel resins and photoresist compositions comprising the same | Rohm and Haas Electronic Materials, L.L.C. (US) | 2011-03-09 | — | — | EP | disclosed |