⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20210937 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL460054 | 0.75 | TDP1 (0.38) | — | |
| SCHEMBL5551242 | 0.75 | — | — | |
| SCHEMBL22499986 | 0.72 | GAA (0.39) | — | |
| SCHEMBL754268 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL21753755 | 0.72 | GABRA1 (0.44) | — | |
| SCHEMBL4249599 | 0.69 | TDP1 (0.33) | — | |
| SCHEMBL5551238 | 0.68 | — | — | |
| SCHEMBL6241968 | 0.68 | MAPT (0.44) | — | |
| SCHEMBL28856679 | 0.67 | CA2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1765267-B1 | INITIAL PHENYLPROPANEDIOL DYE PRODUCTS | HENKEL AG & CO KGAA (DE) | 2010-01-06 | — | — | EP | disclosed |
| EP-1765267-A1 | INITIAL PHENYLPROPANEDIOL DYE PRODUCTS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002712-A1 | INITIAL PHENYLPROPANEDIOL DYE PRODUCTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-01-12 | — | — | WO | disclosed |