⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6682450 | 0.83 | CYP2D6 (0.33) | — | |
| SCHEMBL9064496 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL1031002 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL11467763 | 0.65 | AOC3 (0.40) | — | |
| SCHEMBL11478012 | 0.64 | AOC3 (0.39) | — | |
| SCHEMBL1032197 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL7769399 | 0.63 | ALDH1A1 (0.52) | — | |
| SCHEMBL3886687 | 0.62 | ALDH1A1 (0.61) | — | |
| SCHEMBL28168284 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL30882155 | 0.61 | MAPT (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1474377-A1 | NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS | Crompton Corporation (US) | 2004-11-10 | — | — | EP | disclosed |
| WO-2003070687-A1 | NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS | CROMPTON CORPORATION (US) | 2003-08-28 | — | — | WO | disclosed |