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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL379273 | 0.94 | — | — | |
| Bromide SCHEMBL28310346 | 0.88 | — | — | |
| Bromide SCHEMBL29148438 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL27988727 | 0.88 | — | — | |
| Phosphine SCHEMBL30092810 | 0.88 | — | — | |
| Bromide SCHEMBL27741831 | 0.88 | — | — | |
| Boric Acid SCHEMBL29131649 | 0.88 | — | — | |
| Boric Acid SCHEMBL29833139 | 0.88 | LMNA (0.50) | — | |
| Water SCHEMBL28026497 | 0.88 | — | — | |
| Boric Acid SCHEMBL28374069 | 0.82 | LMNA (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101689678-B | Overcharge protection by coupling redox shuttle chemistry with radical polymerization additives | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2014-10-22 | — | — | CN | disclosed |
| CN-101689678-A | Overcharge protection by coupling redox shuttle chemistry with radical polymerization additives | AIR PROD & CHEM | 2010-03-31 | — | — | CN | disclosed |