⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5275782 | 0.81 | — | — | |
| SCHEMBL5276378 | 0.79 | — | — | |
| SCHEMBL5278544 | 0.77 | — | — | |
| SCHEMBL5282782 | 0.73 | — | — | |
| SCHEMBL5277113 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL5279857 | 0.73 | SLC9A1 (0.37) | — | |
| SCHEMBL5277112 | 0.71 | — | — | |
| SCHEMBL5275714 | 0.71 | — | — | |
| SCHEMBL5282853 | 0.71 | TOP2A (0.32) | — | |
| SCHEMBL5280845 | 0.71 | SLC9A1 (0.33) | — |
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 |