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 | |
|---|---|---|---|---|
| Bromide SCHEMBL353024 | 0.94 | — | — | |
| Iodide SCHEMBL22027479 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1453885 | 0.80 | — | — | |
| SCHEMBL2869881 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL1453424 | 0.59 | — | — | |
| Bromide SCHEMBL27804697 | 0.58 | — | — | |
| Bromide SCHEMBL25171508 | 0.56 | — | — | |
| Zinc Ion SCHEMBL995529 | 0.54 | TSHR (0.30) | — | |
| Bromide SCHEMBL4959905 | 0.54 | — | — | |
| Bromide SCHEMBL22188640 | 0.54 | — | — |
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-109563186-A | METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING POLYMER COMPOSITION | 住友化学株式会社 | 2019-04-02 | — | — | CN | disclosed |