⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15828430 | 0.93 | FKBP5 (0.34) | — | |
| SCHEMBL10152934 | 0.86 | — | — | |
| SCHEMBL7156772 | 0.72 | MAP2K1 (0.52) | — | |
| SCHEMBL15828448 | 0.71 | PNMT (0.35) | — | |
| SCHEMBL4312448 | 0.70 | — | — | |
| SCHEMBL26659416 | 0.68 | OR51E2 (0.38) | — | |
| SCHEMBL15828428 | 0.68 | — | — | |
| SCHEMBL15829265 | 0.68 | MAPT (0.48) | — | |
| SCHEMBL19511770 | 0.65 | SRC (0.46) | — | |
| SCHEMBL4878353 | 0.65 | PNMT (0.42) | — |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113646319-A | C11-ring-substituted 13-membered macrolides and their use | 齐卡尼治疗股份有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-113573779-A | C10-alkylene substituted 13-membered macrolides and their use | 齐卡尼治疗股份有限公司 | 2021-10-29 | — | — | CN | 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-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-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-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-9428475-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2016-08-30 | — | — | 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-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| WO-2011044181-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |
| WO-2010107605-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-23 | — | — | WO | disclosed |
| WO-2010021919-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-02-25 | — | — | WO | disclosed |
| US-20080090822-A1 | Piperazine Derivatives As Glyt 1 Inhibitors | GLAXO GROUP LIMITED | 2008-04-17 | — | — | US | disclosed |