⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30323280 | 0.78 | ITGB2 (0.31) | — | |
| SCHEMBL910338 | 0.71 | — | — | |
| SCHEMBL29664379 | 0.68 | — | — | |
| SCHEMBL29664479 | 0.62 | ADORA2A (0.38) | — | |
| SCHEMBL13028717 | 0.62 | — | — | |
| SCHEMBL5757962 | 0.60 | GRM5 (0.40) | — | |
| SCHEMBL5758755 | 0.60 | GRM5 (0.43) | — | |
| SCHEMBL8554784 | 0.59 | ABCG2 (0.43) | — | |
| Pyrazine SCHEMBL22491477 | 0.59 | ABCG2 (0.74) | — | |
| Hydrochloric Acid SCHEMBL21296905 | 0.59 | ABCG2 (0.88) | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9687494-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-06-27 | — | — | US | disclosed |
| US-9687494-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-06-27 | — | — | US | disclosed |
| US-20160367563-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-12-22 | — | — | US | disclosed |
| US-9475785-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2016-10-25 | — | — | US | disclosed |
| US-9428475-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2016-08-30 | — | — | US | disclosed |
| US-20150307465-A1 | Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use | MERCK SHARP & DOHME CORP. (US) | 2015-10-29 | — | — | US | disclosed |
| US-9145426-B2 | Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2015-09-29 | — | — | US | disclosed |
| US-9029362-B2 | Iminothiadiazine dioxide compounds as brace inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2015-05-12 | — | — | US | disclosed |
| US-8940748-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2015-01-27 | — | — | US | disclosed |
| US-20140296221-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2014-10-02 | — | — | US | disclosed |
| US-8563543-B2 | Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2013-10-22 | — | — | US | disclosed |
| US-8557826-B2 | Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2013-10-15 | — | — | US | disclosed |
| US-20120195881-A1 | PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE | SCHERING CORPORATION (US) | 2012-08-02 | — | — | US | disclosed |
| US-20120195881-A1 | PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE | SCHERING CORPORATION (US) | 2012-08-02 | — | — | US | disclosed |
| US-20120189642-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2012-07-26 | — | — | US | disclosed |
| US-20120189642-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2012-07-26 | — | — | US | disclosed |
| US-20120183563-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME LLC | 2012-07-19 | — | — | US | disclosed |
| US-20120183563-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME LLC | 2012-07-19 | — | — | US | disclosed |
| US-20120148603-A1 | PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120148603-A1 | PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2012-06-14 | — | — | US | disclosed |