⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20782 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL11636328 | 0.96 | — | — | |
| SCHEMBL8156139 | 0.85 | HSP90AA1 (0.72) | — | |
| Chlorobenzene SCHEMBL10939803 | 0.81 | TSHR (0.55) | — | |
| SCHEMBL8836949 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL2427032 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL585550 | 0.69 | — | — | |
| SCHEMBL32909 | 0.69 | — | — | |
| SCHEMBL373166 | 0.67 | HSP90AA1 (0.50) | — | |
| SCHEMBL965404 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5359043-A | Reactive dyes having a sulphonamido group | ZENECA LIMITED (GB) | 1994-10-25 | — | — | US | disclosed |
| EP-0514001-A1 | Reactive dyes | ZENECA LIMITED (GB) | 1992-11-19 | — | — | EP | disclosed |