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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28002893 | 0.93 | — | — | |
| Bromide SCHEMBL9945 | 0.93 | — | — | |
| Bromide SCHEMBL11556201 | 0.86 | — | — | |
| Bromide SCHEMBL17607322 | 0.86 | — | — | |
| SCHEMBL27512693 | 0.84 | CA1 (0.57) | — | |
| SCHEMBL9547 | 0.84 | — | — | |
| SCHEMBL11560033 | 0.84 | — | — | |
| Water SCHEMBL9336807 | 0.84 | — | — | |
| SCHEMBL27513398 | 0.84 | CA1 (0.57) | — | |
| Cyanide SCHEMBL10589200 | 0.80 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8987255-B2 | Halogen-alkyl-1,3 oxazines as BACE1 and/or BACE2 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2015-03-24 | — | — | US | disclosed |
| EP-2718286-A1 | HALOGEN-ALKYL-1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-04-16 | — | — | EP | disclosed |
| US-20140080819-A1 | HALOGEN-ALKYL-1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2014-03-20 | — | — | US | disclosed |
| US-8389513-B2 | 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides | HOFFMANN-LA ROCHE INC. (US) | 2013-03-05 | — | — | US | disclosed |
| WO-2012168164-A1 | HALOGEN-ALKYL-1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-12-13 | — | — | WO | disclosed |
| EP-2509965-A1 | 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011069934-A1 | 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-16 | — | — | WO | disclosed |
| US-20110144097-A1 | 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-16 | — | — | US | disclosed |