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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6907627 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5084347 | 0.91 | — | — | |
| Trimethylammonium SCHEMBL27499170 | 0.83 | — | — | |
| SCHEMBL15511076 | 0.67 | — | — | |
| Bromide SCHEMBL14954284 | 0.67 | — | — | |
| SCHEMBL14954098 | 0.67 | — | — | |
| Bromide SCHEMBL27277306 | 0.65 | — | — | |
| SCHEMBL8930011 | 0.63 | — | — | |
| Bromide SCHEMBL8714881 | 0.63 | — | — | |
| Bromide SCHEMBL819574 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004106391-A1 | POLYMER-BASED MATERIAL | MERCK PATENT GMBH (DE) | 2004-12-09 | — | — | WO | disclosed |