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 | |
|---|---|---|---|---|
| SCHEMBL3014863 | 0.97 | — | — | |
| Bromide SCHEMBL3840716 | 0.77 | FBP1 (0.39) | — | |
| SCHEMBL3838136 | 0.73 | FBP1 (0.41) | — | |
| Bromide SCHEMBL1124451 | 0.72 | — | — | |
| SCHEMBL3843770 | 0.69 | — | — | |
| SCHEMBL72771 | 0.69 | — | — | |
| Bromide SCHEMBL8586526 | 0.67 | SLC6A3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9636987 | 0.67 | — | — | |
| Bromide SCHEMBL2851144 | 0.65 | — | — | |
| Bromide SCHEMBL29519314 | 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106518840-A | Synthetic method of 5-chloro-2-thiophenecarboxylic acid | 山东铂源药业有限公司 | 2017-03-22 | — | — | 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-106518840-B | A kind of synthetic method of 2- chlorothiophene -5- formic acid | 山东铂源药业有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-106518840-B | A kind of synthetic method of 2- chlorothiophene -5- formic acid | 山东铂源药业有限公司 | 2019-03-01 | — | — | CN | disclosed |
| US-10202345-B2 | Substituted azaspiro(4.5)decane derivatives | GRUENENTHAL GMBH (DE) | 2019-02-12 | — | — | US | disclosed |
| EP-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| US-20170210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2017-07-27 | — | — | US | disclosed |
| EP-3169666-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| CN-106518840-A | Synthetic method of 5-chloro-2-thiophenecarboxylic acid | 山东铂源药业有限公司 | 2017-03-22 | — | — | CN | disclosed |
| EP-1594824-A4 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | ATHEROGENICS INC (US) | 2007-04-04 | — | — | EP | disclosed |
| EP-1740548-A1 | NOVEL PHENANTRIDINE ANALOGUES AND THEIR USES AS INHIBITORS OF HYPERPROLIFERATION OF T CELLS AND/OR KERATINOCYTES | 4SC AG (DE) | 2007-01-10 | — | — | EP | disclosed |
| WO-2006136830-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | 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-2005105752-A1 | NOVEL PHENANTRIDINE ANALOGUES AND THEIR USES AS INHIBITORS OF HYPERPROLIFERATION OF T CELLS AND/OR KERATINOCYTES | 4SC AG (DE) | 2005-11-10 | — | — | WO | 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 |