Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3186006 | 1.00 | — | — | |
| SCHEMBL3182296 | 0.90 | — | — | |
| SCHEMBL3182304 | 0.90 | — | — | |
| Bromide SCHEMBL3174360 | 0.90 | KDR (0.37) | — | |
| Bromide SCHEMBL3174366 | 0.90 | KDR (0.37) | — | |
| Bromide SCHEMBL3174302 | 0.84 | CYP19A1 (0.34) | — | |
| Bromide SCHEMBL3174307 | 0.84 | CYP19A1 (0.34) | — | |
| Bromide SCHEMBL3175284 | 0.83 | MAPT (0.38) | — | |
| Bromide SCHEMBL3175293 | 0.83 | MAPT (0.38) | — | |
| SCHEMBL4084574 | 0.82 | MAPT (0.39) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7658771-B2 | Coloring agents for keratin fibers | THE PROCTER & GABLE COMPANY (US) | 2010-02-09 | — | — | US | claimed |
| US-20090158532-A1 | For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide | WELLA OPERATIONS US, LLC | 2009-06-25 | — | — | US | claimed |
| US-7513917-B2 | Coloring agents for keratin fibers | THE PROCTER & GAMBLE COMPANY (US) | 2009-04-07 | — | — | US | claimed |
| US-20070199161-A1 | Coloring agents for keratin fibers | WELLA OPERATIONS US, LLC | 2007-08-30 | — | — | US | claimed |
| WO-2007093943-A1 | COLORING AGENTS FOR KERATIN FIBERS | THE PROCTER & GAMBLE COMPANY (US) | 2007-08-23 | — | — | WO | claimed |
| EP-1820536-A1 | Coloring agents for keratin fibers | Wella Aktiengesellschaft (DE) | 2007-08-22 | — | — | EP | claimed |
| US-7658771-B2 | Coloring agents for keratin fibers | THE PROCTER & GABLE COMPANY (US) | 2010-02-09 | — | — | US | disclosed |
| US-20090158532-A1 | For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide | WELLA OPERATIONS US, LLC | 2009-06-25 | — | — | US | disclosed |
| US-7513917-B2 | Coloring agents for keratin fibers | THE PROCTER & GAMBLE COMPANY (US) | 2009-04-07 | — | — | US | disclosed |
| US-20070199161-A1 | Coloring agents for keratin fibers | WELLA OPERATIONS US, LLC | 2007-08-30 | — | — | US | disclosed |
| WO-2007093943-A1 | COLORING AGENTS FOR KERATIN FIBERS | THE PROCTER & GAMBLE COMPANY (US) | 2007-08-23 | — | — | WO | disclosed |
| EP-1820536-A1 | Coloring agents for keratin fibers | Wella Aktiengesellschaft (DE) | 2007-08-22 | — | — | EP | disclosed |