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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL1336065 | 0.87 | — | — | |
| Bromide SCHEMBL9786205 | 0.87 | — | — | |
| Bromide SCHEMBL27531176 | 0.75 | — | — | |
| Lithium Ion SCHEMBL10681920 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1057116 | 0.75 | — | — | |
| Bromide SCHEMBL8723975 | 0.75 | — | — | |
| Bromide SCHEMBL6598241 | 0.75 | — | — | |
| Bromide SCHEMBL11318686 | 0.75 | — | — | |
| Bromide SCHEMBL11685884 | 0.75 | — | — | |
| Lithium Ion SCHEMBL1906 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170246159-A1 | BENZOQUINOLONE INHIBITORS OF VMAT2 | AUSPEX PHARMACEUTICALS INC (US) | 2017-08-31 | — | — | US | disclosed |
| CN-1049654-C | Piperazine derivatives | DAIICHI SEIYAKU CO (JP) | 2000-02-23 | — | — | CN | disclosed |
| EP-0624584-B1 | Piperazine derivatives useful as calmodulin inhibitors | DAIICHI SEIYAKU CO (JP) | 1998-08-19 | — | — | EP | disclosed |
| US-5681954-A | HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1997-10-28 | — | — | US | disclosed |
| CN-1101039-A | Piperazine derivatives | DAIICHI SEIYAKU CO (JP) | 1995-04-05 | — | — | CN | disclosed |
| EP-0624584-A1 | Piperazine derivatives useful as calmodolin inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1994-11-17 | — | — | EP | disclosed |