⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL685956 | 0.80 | — | — | |
| SCHEMBL5408979 | 0.78 | CYP3A4 (0.34) | — | |
| SCHEMBL12211692 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL23963264 | 0.76 | — | — | |
| SCHEMBL3154695 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL31534014 | 0.75 | POLB (0.32) | — | |
| SCHEMBL5872335 | 0.72 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL17186178 | 0.71 | POLB (0.33) | — | |
| SCHEMBL1173848 | 0.70 | CYP3A4 (0.30) | — | |
| SCHEMBL23963276 | 0.70 | — | — |
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-1225480-A2 | Radiation-sensitive resin composition | JSR Corporation (JP) | 2002-07-24 | — | — | EP | disclosed |