⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3588443 | 0.77 | ALDH1A1 (0.50) | — | |
| Dixanthogen SCHEMBL37053 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL27661225 | 0.74 | — | — | |
| Dixanthogen SCHEMBL1415905 | 0.74 | ALDH1A1 (0.48) | — | |
| Dixanthogen SCHEMBL11408546 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL411100 | 0.74 | — | — | |
| SCHEMBL27545103 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL29002345 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL16674835 | 0.72 | — | — | |
| SCHEMBL7280614 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1423437-A2 | RADICAL POLYMERISATION METHOD PERFORMED IN THE PRESENCE OF DISULPHIDE COMPOUNDS | RHODIA CHIMIE (FR) | 2004-06-02 | — | — | EP | disclosed |
| WO-2003020773-A2 | RADICAL POLYMERISATION METHOD PERFORMED IN THE PRESENCE OF DISULPHIDE COMPOUNDS | RHODIA CHIMIE (FR) | 2003-03-13 | — | — | WO | disclosed |
| US-3976769-A | INSECTICIDE | AIRWICK INDUSTRIES, INC. (US) | 1976-08-24 | — | — | US | disclosed |