⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6124135 | 0.86 | — | — | |
| SCHEMBL8737422 | 0.74 | — | — | |
| SCHEMBL12258193 | 0.73 | — | — | |
| SCHEMBL6124140 | 0.72 | — | — | |
| SCHEMBL8734837 | 0.70 | — | — | |
| SCHEMBL6127866 | 0.68 | — | — | |
| SCHEMBL8736968 | 0.68 | — | — | |
| SCHEMBL6261100 | 0.65 | — | — | |
| SCHEMBL24284147 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL9606819 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120238546-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2012-09-20 | — | — | US | disclosed |
| US-20120129846-A1 | GAMMA SECRETASE MODULATORS | Merck, Sharp & Dohme, Corp. | 2012-05-24 | — | — | 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 |