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 | |
|---|---|---|---|---|
| SCHEMBL5944545 | 0.96 | — | — | |
| Water SCHEMBL247188 | 0.93 | — | — | |
| Iodide SCHEMBL9372287 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL2455516 | 0.93 | — | — | |
| Bromide SCHEMBL5077793 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL18395249 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL907613 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL5944525 | 0.69 | — | — | |
| SCHEMBL10754735 | 0.69 | — | — | |
| SCHEMBL2065110 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6348622-B1 | CHEMICAL INTERMEDIATES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-02-19 | — | — | US | disclosed |
| EP-0900785-A2 | Vitamin A related compounds and process for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-03-10 | — | — | EP | disclosed |