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 SCHEMBL335065 | 1.00 | — | — | |
| Bromide SCHEMBL3455 | 1.00 | — | — | |
| Bromide SCHEMBL8981666 | 0.82 | — | — | |
| Bromide SCHEMBL9031554 | 0.82 | — | — | |
| Water SCHEMBL1326780 | 0.82 | — | — | |
| Bromide SCHEMBL1134758 | 0.82 | — | — | |
| Bromide SCHEMBL4564556 | 0.82 | — | — | |
| Bromide SCHEMBL9629963 | 0.82 | — | — | |
| Bromide SCHEMBL1487781 | 0.82 | — | — | |
| Phosphine SCHEMBL17644182 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7569690-B2 | Process for producing oxycarbonyl-substituted piperazine derivative | TORAY FINE CHEMICALS CO., LTD. (JP) | 2009-08-04 | — | — | US | disclosed |
| US-20060161003-A1 | Process for producing oxycarbonyl-substituted piperazine derivative | TORAY FINE CHEMICALS CO., LTD. (JP) | 2006-07-20 | — | — | US | disclosed |
| EP-1548010-A1 | PROCESS FOR PRODUCING OXYCARBONYL-SUBSTITUTED PIPERAZINE DERIVATIVE | Toray Fine Chemicals Co., Ltd. (JP) | 2005-06-29 | — | — | EP | disclosed |