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 SCHEMBL5605662 | 1.00 | — | — | |
| SCHEMBL6058642 | 0.98 | — | — | |
| SCHEMBL6058636 | 0.98 | — | — | |
| Bromide SCHEMBL5606367 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL5605915 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5605925 | 0.77 | — | — | |
| SCHEMBL7580259 | 0.69 | EHMT2 (0.33) | — | |
| SCHEMBL7580256 | 0.69 | EHMT2 (0.33) | — | |
| SCHEMBL23544057 | 0.67 | — | — | |
| SCHEMBL4796359 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1266904-B1 | Improved process for preparing fluorinated aromatic compounds | SALTIGO GMBH (DE) | 2006-09-13 | — | — | EP | claimed |
| US-20030036667-A1 | Heating aromatic compound substituted with halogen that is exchangeable for fluorine with fluoride and compound such as Diethylaminobis(tetramethylguanidino)sulfonium bromide to produce fluorinated aromatics | LANXESS DEUTSCHLAND GMBH (DE) | 2003-02-20 | — | — | US | claimed |
| US-7247733-B2 | By halogen exchange reaction using specific guanidinium, phosphonium or sulfonium catalysts, e.g., diethylaminobis[tris(diethylamino)phosphazenyl]-sulfonium bromide, diethylaminobis(tetramethyl-guanidino)sulfonium bromide and (N,N-dimethylimidazolidino)tetramethyl-guanidinium chloride | LANXESS DEUTSCHLAND GMBH (DE) | 2007-07-24 | — | — | US | disclosed |
| US-7091362-B2 | Heating aromatic compound substituted with halogen that is exchangeable for fluorine with fluoride and compound such as Diethylaminobis(tetramethylguanidino)sulfonium bromide to produce fluorinated aromatics | BAYER AKTIENGESELLSCHAFT (DE) | 2006-08-15 | — | — | US | disclosed |
| US-20050228201-A1 | By halogen exchange reaction using specific guanidinium, phosphonium or sulfonium catalysts, e.g., diethylaminobis[tris(diethylamino)phosphazenyl]-sulfonium bromide, diethylaminobis(tetramethyl-guanidino)sulfonium bromide and (N,N-dimethylimidazolidino)tetramethyl-guanidinium chloride | HENRICH MARIELOUISE | 2005-10-13 | — | — | US | disclosed |
| US-20030036667-A1 | Heating aromatic compound substituted with halogen that is exchangeable for fluorine with fluoride and compound such as Diethylaminobis(tetramethylguanidino)sulfonium bromide to produce fluorinated aromatics | LANXESS DEUTSCHLAND GMBH (DE) | 2003-02-20 | — | — | US | disclosed |