⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2513846 | 0.60 | — | — | |
| SCHEMBL23057484 | 0.56 | EGFR (0.42) | — | |
| SCHEMBL14781356 | 0.55 | — | — | |
| SCHEMBL4912618 | 0.53 | — | — | |
| SCHEMBL5518505 | 0.53 | RAB9A (0.32) | — | |
| SCHEMBL13754409 | 0.53 | LMNA (0.35) | — | |
| SCHEMBL15450971 | 0.52 | NOS3 (0.34) | — | |
| SCHEMBL22731601 | 0.52 | — | — | |
| SCHEMBL5173348 | 0.52 | — | — | |
| SCHEMBL10644282 | 0.52 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1781237-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006026432-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2006-03-09 | — | — | WO | disclosed |