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 | |
|---|---|---|---|---|
| Cyclopropane SCHEMBL18956919 | 1.00 | — | — | |
| Cyclohexane SCHEMBL28653718 | 1.00 | — | — | |
| Cyclohexane SCHEMBL28251987 | 0.80 | — | — | |
| Cyclohexane SCHEMBL7428414 | 0.80 | — | — | |
| SCHEMBL25378505 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL161597 | 0.78 | ALDH1A1 (0.33) | — | |
| Cyclohexane SCHEMBL2291099 | 0.78 | — | — | |
| SCHEMBL2761107 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL1542881 | 0.78 | ALDH1A1 (0.33) | — | |
| Cyclooctane SCHEMBL31262 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0103120-A2 | Process for producing a catalyst component used for the polymerization of alpha-olefins | TOYO STAUFFER CHEMICAL CO. LTD. (JP) | 1984-03-21 | — | — | EP | disclosed |
| EP-0102503-A2 | Process for producing a catalyst component used for the polymerization of alpha-olefins | TOYO STAUFFER CHEMICAL CO. LTD. (JP) | 1984-03-14 | — | — | EP | disclosed |