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 | |
|---|---|---|---|---|
| Iodide SCHEMBL6470410 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL411682 | 0.90 | — | — | |
| SCHEMBL5318860 | 0.90 | — | — | |
| Lithium Ion SCHEMBL1187855 | 0.86 | — | — | |
| SCHEMBL3689831 | 0.86 | — | — | |
| SCHEMBL11654893 | 0.82 | — | — | |
| Bromide SCHEMBL9709454 | 0.60 | — | — | |
| Ether SCHEMBL2812813 | 0.60 | — | — | |
| Ether SCHEMBL11335832 | 0.60 | — | — | |
| Ether SCHEMBL11292739 | 0.60 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1572665-A2 | 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS | LABORATOIRE THERAMEX (MC) | 2005-09-14 | — | — | EP | disclosed |
| EP-1521785-A2 | ENHANCED SOLUBILITY OF MAGNESIUM HALIDES AND CATALYSTS AND POLYMERIZATION PROCESSES USING SAME | Univation Technologies, LLC (US) | 2005-04-13 | — | — | EP | disclosed |
| US-6780808-B2 | CAN BE MADE FROM MAGNESIUM HALIDE COMPOSITION BY MIXING THE MAGNESIUM HALIDE COMPOSITION WITH A TRANSITION METAL COMPOUND | UNIVATION TECHNOLOGIES, LLC | 2004-08-24 | — | — | US | disclosed |
| WO-2004054983-A2 | 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS | LABORATOIRE THERAMEX (MC) | 2004-07-01 | — | — | WO | disclosed |
| WO-2004007561-A2 | ENHANCED SOLUBILITY OF MAGNESIUM HALIDES AND CATALYSTS AND POLYMERIZATION PROCESSES USING SAME | UNIVATION TECHNOLOGIES, LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| US-20040009869-A1 | Enhanced solubility of magnesium halides and catalysts and polymerization process using same | UNIVATION TECHNOLOGIES, LLC | 2004-01-15 | — | — | US | disclosed |
| US-4246396-A | POLYMERIZATION OF FORMALDEHYDE IN PRESENCE OF SPECIFIC CATALYST FOLLOWED BY HEAT TREATMENT | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1981-01-20 | — | — | US | disclosed |
| US-4158729-A | ORGANOALUMINUM COMPOUND ON AMIDE SUPPORT AS CATALYST | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1979-06-19 | — | — | US | disclosed |
| US-4115415-A | FROM ALKYLENE OXIDES | NISSO PETROCHEMICAL INDUSTRIES CO., LTD. (JP) | 1978-09-19 | — | — | US | disclosed |
| US-4022808-A | ZINC-ALUMINUM-TITANIUM-TIN-IRON OR GROUP 5A AS CATALYSTS | NIPPON SODA COMPANY LIMITED (JA) | 1977-05-10 | — | — | US | disclosed |