⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5285351 | 0.92 | TBXAS1 (0.34) | — | |
| SCHEMBL5282598 | 0.88 | — | — | |
| SCHEMBL5275836 | 0.81 | — | — | |
| SCHEMBL5282178 | 0.81 | — | — | |
| SCHEMBL5279640 | 0.81 | — | — | |
| SCHEMBL5277621 | 0.81 | — | — | |
| SCHEMBL5277084 | 0.81 | — | — | |
| SCHEMBL5284430 | 0.78 | TBXAS1 (0.33) | — | |
| SCHEMBL5276888 | 0.78 | — | — | |
| SCHEMBL5273534 | 0.78 | — | — |
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 |