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 SCHEMBL643181 | 1.00 | — | — | |
| SCHEMBL28138527 | 0.91 | — | — | |
| Iodide SCHEMBL22027514 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL1453990 | 0.91 | — | — | |
| Bromide SCHEMBL19637946 | 0.75 | — | — | |
| Bromide SCHEMBL1425087 | 0.73 | — | — | |
| Bromide SCHEMBL8425132 | 0.70 | — | — | |
| Bromide SCHEMBL397400 | 0.68 | — | — | |
| Bromide SCHEMBL5085474 | 0.67 | — | — | |
| Bromide SCHEMBL3391850 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240218002-A1 | PHOSPHINE-UREA LIGANDS FOR TRANSITION METAL CATALYZED CROSS-COUPLING REACTIONS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2024-07-04 | — | — | US | disclosed |