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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL10339061 | 0.82 | CA4 (0.50) | — | |
| Fluoride Ion SCHEMBL22472214 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL1634173 | 0.82 | — | — | |
| Bromide SCHEMBL5886191 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL29859 | 0.82 | — | — | |
| Bromide SCHEMBL26682 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL915001 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL64301 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL18128881 | 0.67 | CA4 (0.33) | — | |
| Fluoride Ion SCHEMBL2240366 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889047-B1 | Stabilizer for (fluoroaryl) borane compound and methods of stabilizing and crystallizing (fluoroaryl) borane compound | NIPPON CATALYTIC CHEM IND (JP) | 2003-09-03 | — | — | EP | disclosed |
| US-6118026-A | Stabilizer for (fluoroaryl)borane compound and methods of stabilizing and crystallizing (fluoroaryl)borane compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2000-09-12 | — | — | US | disclosed |
| EP-0889047-A2 | Stabilizer for (fluoroaryl) borane compound and methods of stabilizing and crystallizing (fluoroaryl) borane compound | Nippon Shokubai Co., Ltd. (JP) | 1999-01-07 | — | — | EP | disclosed |