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 | |
|---|---|---|---|---|
| SCHEMBL233483 | 0.94 | — | — | |
| Bromide SCHEMBL2470982 | 0.92 | — | — | |
| Bromide SCHEMBL524425 | 0.92 | — | — | |
| Bromide SCHEMBL29096722 | 0.89 | — | — | |
| Sulfuric Acid SCHEMBL4408205 | 0.82 | CYP1A2 (0.76) | — | |
| SCHEMBL9197363 | 0.78 | — | — | |
| Bromide SCHEMBL4434174 | 0.76 | CYP1A2 (0.95) | — | |
| Bromide SCHEMBL17747992 | 0.76 | HRH4 (1.00) | — | |
| SCHEMBL9193111 | 0.71 | CYP1A2 (0.71) | — | |
| SCHEMBL29096739 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |