⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26090 | 0.68 | — | — | |
| SCHEMBL4515094 | 0.66 | — | — | |
| SCHEMBL435414 | 0.63 | — | — | |
| SCHEMBL6029777 | 0.61 | — | — | |
| SCHEMBL6444416 | 0.58 | — | — | |
| SCHEMBL28335380 | 0.57 | — | — | |
| SCHEMBL3513880 | 0.57 | — | — | |
| SCHEMBL5485105 | 0.57 | — | — | |
| SCHEMBL15110605 | 0.55 | IDO1 (0.39) | — | |
| SCHEMBL11772125 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720615-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005087187-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2005-09-22 | — | — | WO | disclosed |