⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28316691 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL9848778 | 0.78 | — | — | |
| SCHEMBL2342993 | 0.68 | — | — | |
| SCHEMBL29113053 | 0.66 | ALDH1A1 (0.39) | — | |
| Cyanate SCHEMBL28848852 | 0.64 | — | — | |
| SCHEMBL27050819 | 0.63 | ALDH1A1 (0.49) | — | |
| SCHEMBL28251853 | 0.61 | — | — | |
| SCHEMBL9067759 | 0.60 | — | — | |
| SCHEMBL15284815 | 0.58 | ALDH1A1 (0.30) | — | |
| SCHEMBL7768426 | 0.57 | — | — |
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-1874843-A1 | AQUEOUS ALKYD RESIN EMULSION FOR FIXING WATER-SOLUBLE DYES | Ashland-Südchemie-Kernfest GmbH (DE) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006114281-A1 | AQUEOUS ALKYD RESIN EMULSION FOR FIXING WATER-SOLUBLE DYES | Ashland-Südchemie-Kernfest GmbH (DE) | 2006-11-02 | — | — | WO | disclosed |