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 | |
|---|---|---|---|---|
| SCHEMBL419268 | 0.91 | — | — | |
| SCHEMBL6833086 | 0.87 | — | — | |
| Methyl Alcohol SCHEMBL1415365 | 0.83 | — | — | |
| SCHEMBL19022333 | 0.75 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9546440 | 0.74 | — | — | |
| Perchlorate SCHEMBL11767394 | 0.74 | — | — | |
| Alcohol SCHEMBL27473305 | 0.74 | — | — | |
| SCHEMBL31397593 | 0.72 | — | — | |
| SCHEMBL6762251 | 0.70 | CYP2C19 (0.38) | — | |
| SCHEMBL27682502 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130190501-A1 | PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF | SYMED LABS LIMITED (IN) | 2013-07-25 | — | — | US | claimed |
| WO-2012032532-A1 | \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ | SYMED LABS LIMITED (IN) | 2012-03-15 | — | — | WO | claimed |
| US-9000221-B2 | Processes for the preparation of 4′-[3-[4-(6-Fluoro-1 ,2-benzisoxazol-3-yl)piperidino]propoxy]-3′-methoxyacetophenone and intermediates thereof | SYMED LABS LIMITED (IN) | 2015-04-07 | — | — | US | disclosed |
| US-20130190501-A1 | PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF | SYMED LABS LIMITED (IN) | 2013-07-25 | — | — | US | disclosed |
| WO-2012032532-A1 | \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ | SYMED LABS LIMITED (IN) | 2012-03-15 | — | — | WO | disclosed |