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 SCHEMBL7760155 | 0.87 | — | — | |
| Water SCHEMBL16760843 | 0.87 | — | — | |
| Bromide SCHEMBL7934371 | 0.87 | — | — | |
| Water SCHEMBL11588980 | 0.87 | — | — | |
| Bromide SCHEMBL23391652 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28091805 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL28267836 | 0.75 | — | — | |
| Bromide SCHEMBL11347548 | 0.75 | — | — | |
| Bromide SCHEMBL1524665 | 0.71 | — | — | |
| SCHEMBL157767 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106242957-A | A kind of preparation method of 2 bromine 3 ' methoxyacetophenones | 湖北欣瑞特医药科技有限公司 | 2016-12-21 | — | — | CN | disclosed |