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 SCHEMBL5444334 | 0.97 | — | — | |
| SCHEMBL5444444 | 0.94 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5444575 | 0.87 | ACHE (0.40) | — | |
| SCHEMBL23698421 | 0.79 | CYP1A2 (0.36) | — | |
| Bromide SCHEMBL28896177 | 0.78 | — | — | |
| Bromide SCHEMBL28896395 | 0.78 | — | — | |
| Bromide SCHEMBL28896035 | 0.78 | — | — | |
| SCHEMBL21834828 | 0.76 | ABCB11 (0.40) | — | |
| SCHEMBL21834791 | 0.76 | ABCB11 (0.40) | — | |
| SCHEMBL21834745 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | claimed |
| US-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | disclosed |
| EP-1658297-A1 | IMIDAZOLIUM SALTS THAT CAN BE IMMOBILIZED | MERCK PATENT GmbH (DE) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005016940-A1 | IMIDAZOLIUM SALTS THAT CAN BE IMMOBILIZED | MERCK PATENT GMBH (DE) | 2005-02-24 | — | — | WO | disclosed |