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 SCHEMBL5441417 | 0.98 | — | — | |
| SCHEMBL5437553 | 0.94 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5444513 | 0.89 | KCNH2 (0.32) | — | |
| Bromide SCHEMBL5455728 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL5457189 | 0.86 | — | — | |
| SCHEMBL5441368 | 0.83 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5447746 | 0.78 | KCNH2 (0.31) | — | |
| SCHEMBL5694057 | 0.73 | MGAM (0.31) | — | |
| Bromide SCHEMBL5439308 | 0.72 | MGAM (0.30) | — | |
| Hydrochloric Acid SCHEMBL5439273 | 0.72 | MGAM (0.30) | — |
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 2 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 |