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 SCHEMBL8888376 | 0.81 | BCHE (0.31) | — | |
| Bromide SCHEMBL8887971 | 0.75 | CYP2D6 (0.39) | — | |
| Bromide SCHEMBL8888561 | 0.70 | KDM4E (0.40) | — | |
| Hydrochloric Acid SCHEMBL8887285 | 0.68 | KDM4E (0.38) | — | |
| Bromide SCHEMBL8890436 | 0.68 | KDM1A (0.33) | — | |
| Bromide SCHEMBL8889285 | 0.66 | MEN1 (0.51) | — | |
| SCHEMBL9231688 | 0.66 | KDM1A (0.34) | — | |
| Hydrochloric Acid SCHEMBL9229544 | 0.65 | ACHE (0.41) | — | |
| SCHEMBL28808700 | 0.57 | HSP90AA1 (0.44) | — | |
| SCHEMBL22641732 | 0.56 | HTT (0.39) | — |
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-5631264-A | NEUROLOGICAL DISORDERS | SANOFI WINTHROP, INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5554620-A | Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof | STERLING WINTHROP INC. (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0656359-A1 | Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof | STERLING WINTHROP INC. (US) | 1995-06-07 | — | — | EP | disclosed |