⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL280635 | 0.72 | — | — | |
| SCHEMBL10029554 | 0.70 | — | — | |
| SCHEMBL19604174 | 0.70 | — | — | |
| SCHEMBL5276188 | 0.67 | HCAR3 (0.31) | — | |
| SCHEMBL19589354 | 0.67 | SMPD3 (0.30) | — | |
| SCHEMBL19254963 | 0.67 | — | — | |
| SCHEMBL5284296 | 0.65 | — | — | |
| SCHEMBL5276198 | 0.65 | — | — | |
| SCHEMBL5321218 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL20077039 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |