⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83209 | 0.76 | — | — | |
| SCHEMBL4982570 | 0.71 | — | — | |
| SCHEMBL9178065 | 0.69 | — | — | |
| SCHEMBL9009757 | 0.69 | — | — | |
| SCHEMBL10361447 | 0.67 | — | — | |
| SCHEMBL9336420 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL8947552 | 0.65 | — | — | |
| SCHEMBL9336416 | 0.65 | — | — | |
| SCHEMBL5674980 | 0.64 | — | — | |
| SCHEMBL10779914 | 0.62 | — | — |
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-0065479-A2 | Reactive dyestuffs, process for their preparation and their use in dyeing and printing materials containing hydroxyl groups or nitrogen | BAYER AG (DE) | 1982-11-24 | — | — | EP | disclosed |