⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6238344 | 0.76 | — | — | |
| SCHEMBL2372415 | 0.72 | — | — | |
| SCHEMBL5173659 | 0.69 | — | — | |
| SCHEMBL29170712 | 0.66 | — | — | |
| SCHEMBL27696601 | 0.62 | — | — | |
| SCHEMBL11434143 | 0.62 | — | — | |
| SCHEMBL28622139 | 0.62 | — | — | |
| SCHEMBL10713779 | 0.62 | — | — | |
| SCHEMBL18263236 | 0.61 | — | — | |
| SCHEMBL28620050 | 0.61 | — | — |
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-1534227-A1 | AGENTS USED FOR DYEING KERATINOUS FIBERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004022016-A1 | AGENTS USED FOR DYEING KERATINOUS FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-03-18 | — | — | WO | disclosed |