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 SCHEMBL6850597 | 0.96 | — | — | |
| SCHEMBL9934721 | 0.96 | — | — | |
| SCHEMBL9935805 | 0.96 | — | — | |
| Bromide SCHEMBL10856440 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL2124516 | 0.92 | TSHR (0.32) | — | |
| Bromide SCHEMBL6856278 | 0.92 | — | — | |
| SCHEMBL4554669 | 0.91 | — | — | |
| SCHEMBL4071941 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL9935693 | 0.89 | — | — | |
| SCHEMBL2120552 | 0.89 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150094486-A1 | ACTIVE IONIC LIQUID MIXTURES FOR OXIDIZING ALKYLAROMATIC COMPOUNDS | UOP LLC (US) | 2015-04-02 | — | — | US | disclosed |
| WO-2015047647-A1 | ACTIVE IONIC LIQUID MIXTURES FOR OXIDIZING ALKYLAROMATIC COMPOUNDS | UOP LLC (US) | 2015-04-02 | — | — | WO | disclosed |
| WO-2009062742-A2 | POROUS SOLID ACID CATALYSTS, METHODS OF MANUFACTURING THE SAME, AND METHODS OF MANUFACTURING ORGANICS MOLECULES USING THE SAME | GRACE GMBH & CO. KG (DE) | 2009-05-22 | — | — | WO | disclosed |