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 SCHEMBL15992884 | 1.00 | — | — | |
| SCHEMBL15993308 | 0.98 | MEN1 (0.46) | — | |
| SCHEMBL12639175 | 0.98 | MEN1 (0.46) | — | |
| SCHEMBL15993624 | 0.98 | MEN1 (0.46) | — | |
| Iodide SCHEMBL1883901 | 0.97 | HTT (0.47) | — | |
| Bromide SCHEMBL1889463 | 0.94 | PABPC1 (0.40) | — | |
| SCHEMBL12639166 | 0.92 | ALDH1A1 (0.40) | — | |
| Iodide SCHEMBL1889719 | 0.91 | PABPC1 (0.42) | — | |
| Bromide SCHEMBL1884724 | 0.88 | HTT (0.56) | — | |
| Bromide SCHEMBL18203186 | 0.87 | APAF1 (0.47) | — |
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 5 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 |
| US-9260397-B2 | Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof | TECHNISCHE UNIVERSITAET DRESDEN (DE) | 2016-02-16 | — | — | US | disclosed |
| US-20110105761-A1 | Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof | TECHNISCHE UNIVERSITAET DRESDEN (DE) | 2011-05-05 | — | — | US | 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 |