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 | |
|---|---|---|---|---|
| SCHEMBL23804111 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8942155 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL8942490 | 0.92 | — | — | |
| SCHEMBL8849876 | 0.90 | — | — | |
| Sulfuric Acid SCHEMBL8942329 | 0.82 | CA12 (0.30) | — | |
| Sulfuric Acid SCHEMBL8942331 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL8849814 | 0.69 | POLB (0.31) | — | |
| SCHEMBL29955680 | 0.69 | — | — | |
| SCHEMBL5182959 | 0.69 | CA3 (0.42) | — | |
| SCHEMBL30816696 | 0.69 | ALDH1A1 (0.42) | — |
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-115551823-A | Preparation method of 1-bromo-2,4,5-trifluorobenzene | 阿尔第实业有限公司 | 2022-12-30 | — | — | CN | disclosed |