⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5039773 | 0.65 | — | — | |
| SCHEMBL1991590 | 0.61 | — | — | |
| SCHEMBL16878180 | 0.59 | — | — | |
| SCHEMBL9098 | 0.59 | ALDH1A1 (1.00) | — | |
| SCHEMBL30587443 | 0.59 | ALDH1A1 (1.00) | — | |
| SCHEMBL6647229 | 0.58 | DYRK1A (0.59) | — | |
| SCHEMBL16486558 | 0.58 | ALDH1A1 (0.95) | — | |
| Bromide SCHEMBL118626 | 0.58 | ALDH1A1 (0.95) | — | |
| Bromide SCHEMBL117936 | 0.58 | ALDH1A1 (0.95) | — | |
| Hydrochloric Acid SCHEMBL2761621 | 0.58 | ALDH1A1 (0.95) | — |
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 |