⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5279191 | 0.93 | TBXAS1 (0.32) | — | |
| SCHEMBL5273723 | 0.93 | — | — | |
| SCHEMBL5287229 | 0.91 | — | — | |
| SCHEMBL5278242 | 0.89 | — | — | |
| SCHEMBL5276111 | 0.89 | — | — | |
| SCHEMBL5288367 | 0.87 | — | — | |
| SCHEMBL5273372 | 0.86 | TBXAS1 (0.32) | — | |
| SCHEMBL5276742 | 0.86 | TBXAS1 (0.32) | — | |
| SCHEMBL5279920 | 0.86 | — | — | |
| SCHEMBL5276258 | 0.86 | — | — |
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 |