⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10328565 | 0.83 | BACE1 (0.39) | — | |
| SCHEMBL10329266 | 0.79 | BACE1 (0.41) | — | |
| SCHEMBL10328568 | 0.79 | KDM1A (0.40) | — | |
| SCHEMBL10329052 | 0.78 | BACE1 (0.41) | — | |
| SCHEMBL10329055 | 0.78 | PGR (0.37) | — | |
| SCHEMBL10329305 | 0.76 | OPRM1 (0.39) | — | |
| SCHEMBL10329054 | 0.76 | BACE1 (0.43) | — | |
| SCHEMBL10328588 | 0.76 | BACE1 (0.30) | — | |
| SCHEMBL10329056 | 0.75 | BACE1 (0.47) | — | |
| SCHEMBL10329042 | 0.73 | BACE1 (0.45) | — |
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 12 patents. 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-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-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-20140296222-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2014-10-02 | — | — | 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-20140206675-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2014-07-24 | — | — | US | disclosed |
| US-8729071-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2014-05-20 | — | — | US | disclosed |
| US-20120183563-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME LLC | 2012-07-19 | — | — | US | disclosed |