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.
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 | |
|---|---|---|---|---|
| SCHEMBL2422668 | 0.98 | — | — | |
| Iodide SCHEMBL11446904 | 0.95 | — | — | |
| Bromide SCHEMBL3930841 | 0.87 | INMT (0.31) | — | |
| SCHEMBL2420911 | 0.84 | — | — | |
| Bromide SCHEMBL8732340 | 0.84 | ALDH1A1 (0.37) | — | |
| Bromide SCHEMBL9154612 | 0.84 | ALDH1A1 (0.37) | — | |
| Bromide SCHEMBL7193301 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL11360570 | 0.83 | INMT (0.30) | — | |
| Iodide SCHEMBL11445662 | 0.83 | — | — | |
| SCHEMBL2363930 | 0.83 | ALDH1A1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044013-B1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHYLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | SUMITOMO CHEMICAL CO (JP) | 2013-05-29 | — | — | EP | disclosed |
| CN-101489998-B | Process for producing 2-hydroxy-4- (methylthio) butanoic acid or butyrate compound and intermediate thereof | SUMITOMO CO LTD | 2013-01-02 | — | — | CN | disclosed |
| CN-102702046-A | Process for producing 2-hydroxy-4-(methylthio) butyrate compounds and intermediates thereof | SUMITOMO CHEMICAL CO | 2012-10-03 | — | — | CN | disclosed |
| US-20090192328-A1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-07-30 | — | — | US | disclosed |
| CN-101489998-A | Process for producing 2-hydroxy-4- (methylthio) butanoic acid or butyrate compound and intermediate thereof | SUMITOMO CHEMICAL CO (JP) | 2009-07-22 | — | — | CN | disclosed |
| EP-2044013-A1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHYLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | Sumitomo Chemical Company, Limited (JP) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008010609-A1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHYLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-01-24 | — | — | WO | disclosed |