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 | |
|---|---|---|---|---|
| SCHEMBL180986 | 0.95 | — | — | |
| SCHEMBL30828602 | 0.95 | — | — | |
| Bromide SCHEMBL14939493 | 0.92 | — | — | |
| Bromide SCHEMBL30543193 | 0.92 | — | — | |
| SCHEMBL27694077 | 0.72 | FAAH (0.40) | — | |
| SCHEMBL28175343 | 0.70 | — | — | |
| SCHEMBL131463 | 0.67 | — | — | |
| SCHEMBL29442588 | 0.65 | GOT1 (0.46) | — | |
| SCHEMBL1456807 | 0.65 | GOT1 (0.46) | — | |
| SCHEMBL30792004 | 0.65 | GOT1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106536502-A | Phenyl tetrahydroisoquinoline compound substituted with heteroaryl | 大正制药株式会社 | 2017-03-22 | — | — | CN | disclosed |