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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2831284 | 0.94 | — | — | |
| Iodide SCHEMBL2831813 | 0.94 | — | — | |
| SCHEMBL17585038 | 0.94 | — | — | |
| SCHEMBL301349 | 0.94 | — | — | |
| SCHEMBL8000320 | 0.91 | — | — | |
| SCHEMBL3891016 | 0.91 | — | — | |
| Bromide SCHEMBL2829754 | 0.89 | CYP1A2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8383591 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL17421810 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8383588 | 0.88 | — | — |
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-20100185019-A1 | CATALYST COMPOSITION AND PROCESS FOR PRODUCING CROSS-COUPLED COMPOUND USING SAME | TOSOH FINECHEM CORPORATION (JP) | 2010-07-22 | — | — | US | disclosed |
| EP-2168680-A1 | CATALYST COMPOSITION AND METHOD FOR PRODUCING CROSS-COUPLING COMPOUND USING THE SAME | Kyoto University (JP) | 2010-03-31 | — | — | EP | disclosed |