⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9606819 | 0.89 | — | — | |
| SCHEMBL1106135 | 0.76 | — | — | |
| SCHEMBL23175669 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL14682718 | 0.65 | MEN1 (0.30) | — | |
| SCHEMBL12922239 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL17904737 | 0.63 | — | — | |
| SCHEMBL11299575 | 0.62 | — | — | |
| SCHEMBL14866164 | 0.61 | MEN1 (0.34) | — | |
| SCHEMBL14682704 | 0.60 | — | — | |
| SCHEMBL24925955 | 0.59 | — | — |
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-8809318-B2 | Gamma secretase modulators | MERCK SHARP & DOHME CORP. (US) | 2014-08-19 | — | — | US | disclosed |
| US-8759337-B2 | Gamma secretase modulators | MERCK SHARP & DOHME CORP. (US) | 2014-06-24 | — | — | US | disclosed |
| US-20120135980-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2012-05-31 | — | — | US | disclosed |
| US-20110306593-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110294784-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME LLC | 2011-12-01 | — | — | US | disclosed |