⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL623667 | 0.55 | — | — | |
| SCHEMBL324851 | 0.53 | — | — | |
| SCHEMBL940153 | 0.48 | — | — | |
| SCHEMBL1374558 | 0.45 | PRKCI (0.44) | — | |
| SCHEMBL11829105 | 0.45 | ALDH1A1 (0.62) | — | |
| Methane SCHEMBL23044967 | 0.22 | — | — | |
| SCHEMBL11652848 | 0.22 | — | — | |
| SCHEMBL11869313 | 0.22 | — | — | |
| Charcoal, Activated SCHEMBL5488842 | 0.22 | — | — | |
| SCHEMBL11146982 | 0.22 | — | — |
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-1715840-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005077324-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2005-08-25 | — | — | WO | disclosed |