⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29264384 | 0.79 | — | — | |
| SCHEMBL7370064 | 0.79 | — | — | |
| SCHEMBL29264386 | 0.79 | — | — | |
| SCHEMBL10438965 | 0.76 | — | — | |
| SCHEMBL1033770 | 0.74 | — | — | |
| SCHEMBL1569242 | 0.72 | — | — | |
| SCHEMBL1436523 | 0.70 | — | — | |
| SCHEMBL1637783 | 0.65 | — | — | |
| SCHEMBL28159224 | 0.64 | — | — | |
| SCHEMBL18929716 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2008022996-A1 | LIGHTENING AGENTS AND/OR COLORANTS CONTAINING POLYOL ESTERS | HENKEL AG & CO. KGAA (DE) | 2008-02-28 | — | — | WO | disclosed |
| EP-1294343-A2 | AGENTS CONTAINING A THICKENING SYSTEM,FOR THE OXIDATIVE COLOURING OF KETARIN FIBRES | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002000177-A2 | AGENTS CONTAINING A THICKENING SYSTEM, FOR THE OXIDATIVE COLOURING OF KERATIN FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-01-03 | — | — | WO | disclosed |