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 | |
|---|---|---|---|---|
| SCHEMBL170348 | 0.93 | — | — | |
| Bromide SCHEMBL6668400 | 0.87 | — | — | |
| SCHEMBL5125 | 0.86 | — | — | |
| Bromide SCHEMBL6666626 | 0.86 | — | — | |
| SCHEMBL613454 | 0.83 | — | — | |
| SCHEMBL187726 | 0.83 | — | — | |
| SCHEMBL233934 | 0.83 | CES2 (0.33) | — | |
| SCHEMBL31069807 | 0.83 | CES2 (0.33) | — | |
| SCHEMBL3003606 | 0.83 | — | — | |
| SCHEMBL9003273 | 0.83 | CES2 (0.33) | — |
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-1062192-B1 | PREPARATION OF CYCLOALKYLACETYLENE COMPOUNDS | WILEY ORGANICS INC (US) | 2004-09-15 | — | — | EP | claimed |
| US-6303057-B1 | PREPARING CYCLOALKYLACETYLENYLMAGNESIUM HALIDE FROM DIALKYLAMINOMAGNESIUM HALIDE AND AN ALKYNYL HALIDE | WILEY ORGANICS INC (US) | 2001-10-16 | — | — | US | claimed |