⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7795373 | 0.92 | — | — | |
| SCHEMBL21615003 | 0.79 | — | — | |
| SCHEMBL63866 | 0.76 | — | — | |
| SCHEMBL21022226 | 0.75 | — | — | |
| SCHEMBL4088488 | 0.71 | — | — | |
| SCHEMBL377127 | 0.69 | — | — | |
| SCHEMBL7805347 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1953068 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL23817266 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL3431724 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5171852-A | Dye cellulose textiles bright reddish blue shades | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-12-15 | — | — | US | disclosed |
| EP-0279122-B1 | REACTIVE DYES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-10 | — | — | EP | disclosed |
| EP-0279122-A2 | Reactive dyes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-24 | — | — | EP | disclosed |