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 SCHEMBL1886866 | 1.00 | — | — | |
| Bromide SCHEMBL15993074 | 1.00 | — | — | |
| SCHEMBL15992565 | 0.99 | MEN1 (0.42) | — | |
| SCHEMBL14676288 | 0.99 | MEN1 (0.42) | — | |
| Iodide SCHEMBL14676549 | 0.97 | HTT (0.44) | — | |
| SCHEMBL12639167 | 0.93 | CYP1A2 (0.40) | — | |
| Iodide SCHEMBL1887373 | 0.92 | PABPC1 (0.40) | — | |
| Bromide SCHEMBL3408299 | 0.89 | CYP1A2 (0.41) | — | |
| Bromide SCHEMBL15993291 | 0.88 | — | — | |
| Bromide SCHEMBL15993657 | 0.88 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2254871-B1 | SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS | UNIV DRESDEN TECH (DE) | 2016-11-09 | — | — | EP | disclosed |
| EP-2254871-A1 | SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS | Technische Universität Dresden (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009095012-A1 | SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF | Technische Universität Dresden (DE) | 2009-08-06 | — | — | WO | disclosed |