Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9636987 | 0.94 | — | — | |
| Bromide SCHEMBL3840716 | 0.77 | FBP1 (0.39) | — | |
| SCHEMBL3838136 | 0.73 | FBP1 (0.41) | — | |
| Bromide SCHEMBL1022377 | 0.72 | — | — | |
| Bromide SCHEMBL8586526 | 0.72 | SLC6A3 (0.35) | — | |
| SCHEMBL72771 | 0.69 | — | — | |
| SCHEMBL3014863 | 0.69 | — | — | |
| SCHEMBL3843770 | 0.69 | — | — | |
| Bromide SCHEMBL29519314 | 0.63 | L3MBTL1 (0.55) | — | |
| Bromide SCHEMBL30467088 | 0.63 | L3MBTL1 (0.55) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109502929-B | A kind of processing method of coking of coal waste water | 辽宁中舟得水环保科技有限公司 | 2019-11-12 | — | — | CN | claimed |
| CN-109502929-A | A kind of processing method of coking of coal waste water | 辽宁中舟得水环保科技有限公司 | 2019-03-22 | — | — | CN | claimed |
| US-7273948-B2 | Process of preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS, INC. (US) | 2007-09-25 | — | — | US | claimed |
| EP-1594824-A4 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | ATHEROGENICS INC (US) | 2007-04-04 | — | — | EP | claimed |
| EP-1594824-A2 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | Atherogenics, Inc. (US) | 2005-11-16 | — | — | EP | claimed |
| US-20040204485-A1 | Process of preparing esters and ethers of probucol and derivatives thereof | CRABTREE ACQUISITION CO, LLC | 2004-10-14 | — | — | US | claimed |
| WO-2004062622-A2 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | ATHEROGENICS, INC. (US) | 2004-07-29 | — | — | WO | claimed |
| CN-109502929-B | A kind of processing method of coking of coal waste water | 辽宁中舟得水环保科技有限公司 | 2019-11-12 | — | — | CN | disclosed |
| CN-109502929-A | A kind of processing method of coking of coal waste water | 辽宁中舟得水环保科技有限公司 | 2019-03-22 | — | — | CN | disclosed |
| US-8324401-B2 | Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-12-04 | — | — | US | disclosed |
| EP-1896424-B1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF | BRISTOL MYERS SQUIBB CO (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-2284157-A1 | Quinolines useful in treating cardiovascular disease | Wyeth (US) | 2011-02-16 | — | — | EP | disclosed |
| US-7888381-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity, and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |
| EP-1692111-A2 | QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE | Wyeth, A Corporation of the State of Delaware (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2006077412-A1 | THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION | BIOLIPOX AB (SE) | 2006-07-27 | — | — | WO | disclosed |
| EP-1594824-A2 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | Atherogenics, Inc. (US) | 2005-11-16 | — | — | EP | disclosed |
| WO-2005058834-A2 | QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE | WYETH (US) | 2005-06-30 | — | — | WO | disclosed |
| US-20050131014-A1 | Quinolines useful in treating cardiovascular disease | WYETH (US) | 2005-06-16 | — | — | US | disclosed |
| US-20040204485-A1 | Process of preparing esters and ethers of probucol and derivatives thereof | CRABTREE ACQUISITION CO, LLC | 2004-10-14 | — | — | US | disclosed |
| WO-2004062622-A2 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | ATHEROGENICS, INC. (US) | 2004-07-29 | — | — | WO | disclosed |