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 | |
|---|---|---|---|---|
| Iodide SCHEMBL40668 | 0.84 | — | — | |
| Iodide SCHEMBL7134855 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL890504 | 0.84 | — | — | |
| Iodide SCHEMBL1796983 | 0.77 | — | — | |
| SCHEMBL19565 | 0.76 | — | — | |
| Iodide SCHEMBL11454182 | 0.71 | — | — | |
| SCHEMBL9159776 | 0.68 | — | — | |
| SCHEMBL8607743 | 0.68 | — | — | |
| Fluoride Ion SCHEMBL3001324 | 0.68 | — | — | |
| SCHEMBL3275991 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100041905-A1 | Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl | ASTRAZENECA AB (SE) | 2010-02-18 | — | — | US | disclosed |
| EP-2044045-A2 | A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL | AstraZeneca AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008010764-A2 | A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL | ASTRAZENECA AB (SE) | 2008-01-24 | — | — | WO | disclosed |