⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6288491 | 0.72 | — | — | |
| SCHEMBL6287804 | 0.70 | — | — | |
| SCHEMBL6282842 | 0.68 | — | — | |
| SCHEMBL6286477 | 0.67 | — | — | |
| SCHEMBL6287209 | 0.66 | KDM4E (0.36) | — | |
| SCHEMBL9875106 | 0.63 | KDM4E (0.40) | — | |
| SCHEMBL6279480 | 0.60 | — | — | |
| SCHEMBL6282909 | 0.59 | — | — | |
| SCHEMBL5146698 | 0.58 | MBOAT4 (0.32) | — | |
| SCHEMBL1840926 | 0.57 | EGFR (0.42) | — |
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-0923929-B1 | KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS OXIDATION AGENTS, AND DYEING METHOD; PYRAZOLOAZOLES | OREAL (FR) | 2004-05-12 | — | — | EP | claimed |