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 | |
|---|---|---|---|---|
| SCHEMBL14499200 | 0.98 | — | — | |
| Bromide SCHEMBL530822 | 0.82 | SMN1; SMN2 (0.58) | — | |
| Bromide SCHEMBL4416367 | 0.80 | SMN1; SMN2 (0.55) | — | |
| SCHEMBL1076116 | 0.79 | — | — | |
| Bromide SCHEMBL530786 | 0.79 | SMN1; SMN2 (0.65) | — | |
| Bromide SCHEMBL193043 | 0.78 | — | — | |
| Water SCHEMBL27967367 | 0.77 | SMN1; SMN2 (0.53) | — | |
| Hydrochloric Acid SCHEMBL1029322 | 0.77 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL988007 | 0.77 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL15136817 | 0.77 | SMN1; SMN2 (0.63) | — |
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-2415741-A1 | METHOD FOR PRODUCING ALCOHOL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20120010417-A1 | METHOD FOR PRODUCING ALCOHOL COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |