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 | |
|---|---|---|---|---|
| SCHEMBL18498464 | 0.92 | CA1 (0.33) | — | |
| SCHEMBL12624 | 0.92 | — | — | |
| SCHEMBL27990047 | 0.88 | — | — | |
| Ethane SCHEMBL28997522 | 0.88 | — | — | |
| Water SCHEMBL28081744 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL384346 | 0.88 | — | — | |
| SCHEMBL9421136 | 0.88 | — | — | |
| Fluoride SCHEMBL27559329 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8420813 | 0.85 | — | — | |
| Methylamine SCHEMBL1048807 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107973806-A | A kind of method for preparing D-Biotin bromide intermediate | 大丰海嘉诺药业有限公司 | 2018-05-01 | — | — | CN | disclosed |
| CN-107973806-A | A kind of method for preparing D-Biotin bromide intermediate | 大丰海嘉诺药业有限公司 | 2018-05-01 | — | — | CN | disclosed |