⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8738628 | 0.83 | CPB1 (0.31) | — | |
| SCHEMBL6124251 | 0.75 | GRM5 (0.37) | — | |
| SCHEMBL6124114 | 0.74 | IKBKB (0.33) | — | |
| SCHEMBL12913413 | 0.73 | — | — | |
| SCHEMBL19412447 | 0.72 | KCNH2 (0.33) | — | |
| SCHEMBL6124266 | 0.70 | — | — | |
| SCHEMBL6124257 | 0.70 | HSP90AA1 (0.32) | — | |
| SCHEMBL8737277 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL6124265 | 0.68 | GRM5 (0.33) | — | |
| SCHEMBL6124237 | 0.68 | PSEN1 (0.43) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809318-B2 | Gamma secretase modulators | MERCK SHARP & DOHME CORP. (US) | 2014-08-19 | — | — | US | disclosed |
| US-8487099-B2 | Gamma secretase modulators | MERCK SHARP & DOHME CORP. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8450343-B2 | Gamma secretase modulators | SCHERING CORPORATION | 2013-05-28 | — | — | US | disclosed |
| US-8426595-B2 | Gamma secretase modulators | MERCK SHARP & DOHME LLC | 2013-04-23 | — | — | US | disclosed |
| US-20120129846-A1 | GAMMA SECRETASE MODULATORS | Merck, Sharp & Dohme, Corp. | 2012-05-24 | — | — | US | disclosed |
| US-20120107328-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2012-05-03 | — | — | US | disclosed |
| US-20120107328-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2012-05-03 | — | — | US | disclosed |
| US-20110306593-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110263529-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2011-10-27 | — | — | US | disclosed |
| US-20110015190-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2011-01-20 | — | — | US | disclosed |
| US-20100297128-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME LLC | 2010-11-25 | — | — | US | disclosed |
| US-20100297128-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME LLC | 2010-11-25 | — | — | US | disclosed |
| US-20100298372-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2010-11-25 | — | — | US | disclosed |
| US-20100298372-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2010-11-25 | — | — | US | disclosed |
| US-20100298359-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2010-11-25 | — | — | US | disclosed |