⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11066681 | 0.85 | MAOB (0.41) | — | |
| SCHEMBL36897 | 0.83 | ALDH1A1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL11203129 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL11574505 | 0.80 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7231265 | 0.80 | ALDH1A1 (0.43) | — | |
| Ethylene Glycol SCHEMBL25435561 | 0.74 | LDHA (0.38) | — | |
| SCHEMBL22362608 | 0.72 | — | — | |
| SCHEMBL4728200 | 0.72 | — | — | |
| SCHEMBL11632565 | 0.72 | — | — | |
| Phthalic Acid SCHEMBL5690459 | 0.72 | ALDH1A1 (0.70) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7297168-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-11-20 | — | — | US | claimed |
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | claimed |
| EP-2411376-B1 | INHIBITORS OF NF-KB | PROFECTUS BIOSCIENCES INC (US) | 2015-04-22 | — | — | EP | disclosed |
| US-8629164-B2 | Inhibitors of NF-κB | PROFECTUS BIOSCIENCES, INC. (US) | 2014-01-14 | — | — | US | disclosed |
| CN-102414190-A | Inhibitors of NF-kB | PROFECTUS BIOSCIENCES INC | 2012-04-11 | — | — | CN | disclosed |
| US-20120015952-A1 | Inhibitors of NF-KB | PROFECTUS BIOSCIENCES, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-7297168-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-11-20 | — | — | US | disclosed |
| CN-1913865-A | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE (US) | 2007-02-14 | — | — | CN | disclosed |
| EP-1737417-A2 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2007-01-03 | — | — | EP | disclosed |
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | disclosed |
| WO-2005074875-A2 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2005-08-18 | — | — | WO | disclosed |