⚠ 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 | |
|---|---|---|---|---|
| Triaziquone SCHEMBL7757862 | 0.84 | — | — | |
| SCHEMBL5072013 | 0.79 | INPP5A (0.33) | — | |
| Triaziquone SCHEMBL6225692 | 0.73 | TP53 (0.38) | — | |
| Triaziquone SCHEMBL23092282 | 0.72 | TP53 (0.34) | — | |
| Triaziquone SCHEMBL20994184 | 0.72 | TP53 (0.36) | — | |
| Triaziquone SCHEMBL2146169 | 0.71 | TP53 (0.37) | — | |
| Triaziquone SCHEMBL9750708 | 0.71 | TP53 (0.37) | — | |
| Triaziquone SCHEMBL21616697 | 0.71 | TP53 (0.30) | — | |
| Triaziquone SCHEMBL23064222 | 0.71 | DNMT1 (0.38) | — | |
| Triaziquone SCHEMBL21625776 | 0.71 | MAPT (0.41) | — |
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-1084183-B1 | GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION | GREAT LAKES CHEMICAL EUROP (CH) | 2004-06-16 | — | — | EP | disclosed |