⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9446205 | 0.95 | ALDH1A1 (0.31) | — | |
| SCHEMBL1606957 | 0.74 | KMO (0.33) | — | |
| SCHEMBL679900 | 0.72 | KMO (0.36) | — | |
| SCHEMBL9629937 | 0.70 | — | — | |
| SCHEMBL15414960 | 0.68 | MAPK8 (0.33) | — | |
| SCHEMBL22836855 | 0.66 | MAPK8 (0.31) | — | |
| SCHEMBL6518361 | 0.63 | HRH3 (0.43) | — | |
| SCHEMBL21438195 | 0.63 | KCNH2 (0.34) | — | |
| SCHEMBL10673560 | 0.63 | PIM1 (0.31) | — | |
| SCHEMBL1607495 | 0.63 | KCNH2 (0.31) | — |
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-8518975-B2 | Gamma secretase modulators | Merck Sharp + Dohme Corp. (US) | 2013-08-27 | — | — | US | disclosed |
| US-20110082153-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2011-04-07 | — | — | US | disclosed |
| EP-2200990-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009032277-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2009-03-12 | — | — | WO | disclosed |