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 SCHEMBL11534126 | 0.97 | MEN1 (0.42) | — | |
| Bromide SCHEMBL21293916 | 0.87 | HSP90AA1 (0.47) | — | |
| Bromide SCHEMBL16445313 | 0.87 | HSP90AA1 (0.47) | — | |
| Bromide SCHEMBL574336 | 0.87 | HSP90AA1 (0.47) | — | |
| Bromide SCHEMBL11536576 | 0.87 | NPC1 (0.42) | — | |
| Bromide SCHEMBL9663297 | 0.87 | CA1 (0.46) | — | |
| SCHEMBL18707686 | 0.87 | MEN1 (0.39) | — | |
| SCHEMBL5813633 | 0.86 | ABCB11 (0.46) | — | |
| SCHEMBL5295972 | 0.86 | ABCB11 (0.46) | — | |
| SCHEMBL5295433 | 0.86 | ABCB11 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4150967-A | QUATERNARY IMIDAZOLIUM COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-04-24 | — | — | US | disclosed |