⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6683632 | 0.72 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL20548983 | 0.70 | — | — | |
| SCHEMBL1027890 | 0.70 | NPC1 (0.31) | — | |
| SCHEMBL1032197 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL6682450 | 0.60 | CYP2D6 (0.33) | — | |
| SCHEMBL6684312 | 0.59 | ALDH1A1 (0.40) | — | |
| SCHEMBL1028410 | 0.59 | ALDH1A1 (0.45) | — | |
| SCHEMBL1029810 | 0.59 | ALDH1A1 (0.51) | — | |
| SCHEMBL29290778 | 0.58 | ALDH1A1 (0.37) | — | |
| SCHEMBL6856602 | 0.58 | ALDH1A1 (0.32) | — |
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 |