⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6124141 | 0.83 | — | — | |
| SCHEMBL8736964 | 0.77 | — | — | |
| SCHEMBL8738093 | 0.76 | ELANE (0.32) | — | |
| SCHEMBL12522542 | 0.74 | — | — | |
| SCHEMBL6127938 | 0.70 | GPR55 (0.37) | — | |
| SCHEMBL6127871 | 0.70 | — | — | |
| SCHEMBL8738212 | 0.69 | — | — | |
| SCHEMBL8737251 | 0.69 | HTR2A (0.31) | — | |
| SCHEMBL8738219 | 0.68 | CCR1 (0.31) | — | |
| SCHEMBL6127872 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8426595-B2 | Gamma secretase modulators | MERCK SHARP & DOHME LLC | 2013-04-23 | — | — | US | disclosed |
| US-20120135980-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2012-05-31 | — | — | US | disclosed |
| US-20110263529-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2011-10-27 | — | — | US | disclosed |
| US-20100298372-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2010-11-25 | — | — | US | disclosed |
| US-20100297128-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME LLC | 2010-11-25 | — | — | US | disclosed |