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 | |
|---|---|---|---|---|
| SCHEMBL347195 | 0.91 | — | — | |
| Bromide SCHEMBL6129607 | 0.83 | — | — | |
| SCHEMBL29008134 | 0.78 | — | — | |
| SCHEMBL28913707 | 0.74 | — | — | |
| SCHEMBL4634738 | 0.72 | — | — | |
| SCHEMBL28909669 | 0.70 | — | — | |
| SCHEMBL9070712 | 0.69 | — | — | |
| SCHEMBL174368 | 0.69 | — | — | |
| SCHEMBL16684663 | 0.69 | — | — | |
| SCHEMBL4348534 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1049658-A4 | SYNTHESIS OF TETRAALKYLCYCLOPENTADIENES | BOULDER SCIENT CO (US) | 2005-03-16 | — | — | EP | disclosed |
| US-6388151-B1 | Synthesis of Tetraalkylcyclopentadienes | BOULDER SCIENTIFIC COMPANY | 2002-05-14 | — | — | US | disclosed |
| EP-1049658-A1 | SYNTHESIS OF TETRAALKYLCYCLOPENTADIENES | BOULDER SCIENTIFIC COMPANY (US) | 2000-11-08 | — | — | EP | disclosed |
| WO-2000031008-A1 | SYNTHESIS OF TETRAALKYLCYCLOPENTADIENES | BOULDER SCIENTIFIC COMPANY (US) | 2000-06-02 | — | — | WO | disclosed |