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 SCHEMBL9545918 | 0.95 | — | — | |
| Bromide SCHEMBL9545919 | 0.90 | — | — | |
| Bromide SCHEMBL7853038 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL8498376 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL8498316 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL8465914 | 0.72 | MEN1 (0.33) | — | |
| Iodide SCHEMBL8468039 | 0.71 | MEN1 (0.33) | — | |
| Iodide SCHEMBL8500685 | 0.71 | MEN1 (0.33) | — | |
| Bromide SCHEMBL7859782 | 0.64 | — | — | |
| Bromide SCHEMBL8711886 | 0.63 | TERT (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0643716-B1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMA (US) | 1999-12-08 | — | — | EP | disclosed |
| US-5753634-A | TREATING OR PREVENTING ARTHRITIS AND OSTEOPOROSIS | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-19 | — | — | US | disclosed |