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 SCHEMBL3897184 | 0.96 | — | — | |
| Fluoride Ion SCHEMBL27182218 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL9066495 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7210366 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL9066963 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9065924 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8166762 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9066179 | 0.70 | — | — | |
| Bromide SCHEMBL7889947 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9066709 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0316155-B1 | A transition-metal compound having a substituted, bridged bis-cyclopentadienyl ligand | CHISSO CORP (JP) | 1996-02-07 | — | — | EP | disclosed |
| US-4931417-A | Transition-metal compound having a bis-substituted-cyclopentadienyl ligand of bridged structure | CHISSO CORPORATION (JP) | 1990-06-05 | — | — | US | disclosed |
| EP-0316155-A2 | A transition-metal compound having a substituted, bridged bis-cyclopentadienyl ligand | Chisso Corporation (JP) | 1989-05-17 | — | — | EP | disclosed |