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 | |
|---|---|---|---|---|
| SCHEMBL715068 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28101793 | 0.89 | — | — | |
| Bromide SCHEMBL866331 | 0.89 | — | — | |
| SCHEMBL28180013 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL3381412 | 0.76 | — | — | |
| SCHEMBL1469928 | 0.71 | — | — | |
| Bromide SCHEMBL19859213 | 0.69 | — | — | |
| SCHEMBL28228624 | 0.69 | — | — | |
| SCHEMBL8607776 | 0.69 | — | — | |
| SCHEMBL19329903 | 0.67 | EPHX1 (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7288537-B2 | Azetidine derivatives as CCR-3 receptor antagonists | NOVARTIS AG (CH) | 2007-10-30 | — | — | US | disclosed |
| US-20050222118-A1 | Azetidine derivatives as ccr-3 receptor antagonists | NOVARTIS AG (CH) | 2005-10-06 | — | — | US | disclosed |
| EP-1487435-A1 | AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS | Novartis AG (CH) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003077907-A1 | AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2003-09-25 | — | — | WO | disclosed |