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 | |
|---|---|---|---|---|
| SCHEMBL27871056 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10319935 | 0.95 | — | — | |
| SCHEMBL10318045 | 0.78 | — | — | |
| SCHEMBL28040384 | 0.74 | RAPGEF4 (0.36) | — | |
| Bromide SCHEMBL28157338 | 0.73 | CYP3A4 (0.37) | — | |
| SCHEMBL120101 | 0.69 | TSHR (0.39) | — | |
| Hexamethylbenzene SCHEMBL10345657 | 0.66 | CYP3A4 (0.37) | — | |
| SCHEMBL2724509 | 0.66 | CYP3A4 (0.44) | — | |
| SCHEMBL10346431 | 0.66 | CYP3A4 (0.37) | — | |
| SCHEMBL5182505 | 0.66 | CYP3A4 (0.37) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100548950-C | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-10-14 | — | — | 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 |
| CN-1759084-A | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2006-04-12 | — | — | CN | 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 |
| US-7622604-B2 | via grignard intermediate such as benzylmagnesium chloride and esterification with succinic anhydride; inflammatory and cardiovascular diseases; optimizes the amount of monoester in the final product mixture and minimizes the amount of reagents; e.g. synthesis of succinobucol | SALUTRIA PHARMACEUTICALS LLC (US) | 2009-11-24 | — | — | US | disclosed |
| CN-100548950-C | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-10-14 | — | — | CN | disclosed |
| CN-101391972-A | Process of preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-03-25 | — | — | CN | disclosed |
| US-20080009642-A1 | Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof | CRABTREE ACQUISITION CO, LLC | 2008-01-10 | — | — | US | disclosed |
| US-7273948-B2 | Process of preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS, INC. (US) | 2007-09-25 | — | — | US | disclosed |
| EP-1594824-A4 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | ATHEROGENICS INC (US) | 2007-04-04 | — | — | EP | disclosed |
| CN-1759084-A | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2006-04-12 | — | — | CN | disclosed |
| EP-1594824-A2 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | Atherogenics, Inc. (US) | 2005-11-16 | — | — | EP | 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 |