⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5276622 | 0.90 | ESR1 (0.32) | — | |
| SCHEMBL5279514 | 0.89 | — | — | |
| SCHEMBL5281704 | 0.85 | — | — | |
| SCHEMBL5277084 | 0.85 | — | — | |
| SCHEMBL5277567 | 0.84 | — | — | |
| SCHEMBL5279073 | 0.82 | TBXAS1 (0.33) | — | |
| SCHEMBL5278018 | 0.81 | — | — | |
| SCHEMBL5280347 | 0.79 | — | — | |
| SCHEMBL5276831 | 0.78 | — | — | |
| SCHEMBL5284043 | 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 |