⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6632205 | 0.73 | COMT (0.38) | — | |
| SCHEMBL6632348 | 0.70 | TTR (0.37) | — | |
| SCHEMBL1413194 | 0.69 | TTR (0.39) | — | |
| SCHEMBL6632276 | 0.67 | COMT (0.38) | — | |
| SCHEMBL6636066 | 0.66 | COMT (0.37) | — | |
| SCHEMBL1804225 | 0.66 | TTR (0.43) | — | |
| SCHEMBL6633412 | 0.66 | TTR (0.39) | — | |
| SCHEMBL5147228 | 0.66 | ALDH1A1 (0.44) | — | |
| SCHEMBL7066887 | 0.64 | NT5E (0.44) | — | |
| SCHEMBL6598756 | 0.64 | TTR (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0876430-B1 | BRANCHED POLYAMINE LINKED REACTIVE DYES AND COLORATION PROCESS USING THEM | SYNGENTA LTD (GB) | 2001-08-29 | — | — | EP | disclosed |
| US-6022384-A | Negative dyes and coloration process using them | ZENECA LIMITED (GB) | 2000-02-08 | — | — | US | disclosed |
| US-5968208-A | Negative dyes and coloration process using them | ZENECA LIMITED (GB) | 1999-10-19 | — | — | US | disclosed |
| EP-0876430-A1 | NEGATIVE DYES AND COLORATION PROCESS USING THEM | ZENECA LIMITED (GB) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997019137-A1 | NEGATIVE DYES AND COLORATION PROCESS USING THEM | ZENECA LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |