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 | |
|---|---|---|---|---|
| SCHEMBL6657146 | 0.93 | — | — | |
| Bromide SCHEMBL6659838 | 0.86 | — | — | |
| SCHEMBL27416980 | 0.81 | — | — | |
| SCHEMBL13742211 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL27069751 | 0.81 | CHRM2 (0.38) | — | |
| SCHEMBL6657562 | 0.78 | — | — | |
| SCHEMBL13741839 | 0.77 | SIGMAR1 (0.33) | — | |
| SCHEMBL557749 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL1582524 | 0.75 | — | — | |
| SCHEMBL22003305 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1160267-B1 | CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE | JAPAN SCIENCE & TECH CORP (JP) | 2004-08-04 | — | — | EP | disclosed |