⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12489957 | 0.92 | KDM1A (0.36) | — | |
| SCHEMBL30990293 | 0.92 | KDM1A (0.36) | — | |
| SCHEMBL1823434 | 0.86 | PTPN1 (0.37) | — | |
| SCHEMBL23064180 | 0.82 | KDM1A (0.35) | — | |
| SCHEMBL30096747 | 0.82 | DPP4 (0.38) | — | |
| SCHEMBL2556351 | 0.82 | DPP4 (0.38) | — | |
| SCHEMBL4314803 | 0.81 | — | — | |
| SCHEMBL2012031 | 0.80 | ERN1 (0.33) | — | |
| SCHEMBL15067721 | 0.79 | KDM1A (0.33) | — | |
| SCHEMBL486530 | 0.77 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2935256-A1 | 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | Bristol-Myers Squibb Company (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014098831-A1 | 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-06-26 | — | — | WO | disclosed |
| EP-2709992-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| EP-2694495-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-02-12 | — | — | EP | disclosed |
| EP-2686307-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| EP-2588466-A1 | 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | Janssen Pharmaceutica, N.V. (BE) | 2013-05-08 | — | — | EP | disclosed |
| EP-2566855-A1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-03-13 | — | — | EP | disclosed |
| WO-2012156284-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | disclosed |
| WO-2012136603-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-11 | — | — | WO | disclosed |
| WO-2012126791-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | WO | disclosed |
| WO-2011154374-A1 | 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-15 | — | — | WO | disclosed |
| WO-2011138293-A1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-10 | — | — | WO | disclosed |
| EP-2297120-A1 | AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Eli Lilly & Company (US) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009134617-A1 | AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | ELI LILLY AND COMPANY (US) | 2009-11-05 | — | — | WO | disclosed |