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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5179224 | 0.96 | — | — | |
| Fluoride Ion SCHEMBL7532529 | 0.96 | — | — | |
| Bromide SCHEMBL29025917 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8639415 | 0.77 | — | — | |
| Bromide SCHEMBL27478122 | 0.77 | — | — | |
| SCHEMBL813889 | 0.76 | — | — | |
| Bromide SCHEMBL27477689 | 0.75 | — | — | |
| SCHEMBL30039896 | 0.74 | — | — | |
| SCHEMBL7050541 | 0.74 | — | — | |
| SCHEMBL7050544 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020077433-A1 | Catalyst system for the polymerization of dienes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | US | disclosed |