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 | |
|---|---|---|---|---|
| SCHEMBL1506063 | 0.95 | — | — | |
| Bromide SCHEMBL6987352 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4248268 | 0.92 | — | — | |
| Benzofuran SCHEMBL28394976 | 0.70 | NAMPT (0.40) | — | |
| SCHEMBL10533104 | 0.61 | KDM4E (0.47) | — | |
| SCHEMBL7889267 | 0.61 | — | — | |
| SCHEMBL3848 | 0.61 | — | — | |
| SCHEMBL21550079 | 0.60 | CYP2A6 (0.60) | — | |
| SCHEMBL875880 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL7957885 | 0.59 | — | — |
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-1268434-A1 | CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION | Bristol-Myers Squibb Pharma Company (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001074784-A1 | CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION | DUPONT PHARMACEUTICALS COMPANY (US) | 2001-10-11 | — | — | WO | disclosed |