⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4546376 | 0.76 | — | — | |
| SCHEMBL23175674 | 0.74 | — | — | |
| SCHEMBL17705706 | 0.67 | CCNB2 (0.31) | — | |
| SCHEMBL4550108 | 0.67 | — | — | |
| SCHEMBL23989365 | 0.65 | — | — | |
| SCHEMBL23989372 | 0.65 | — | — | |
| SCHEMBL18610990 | 0.65 | — | — | |
| SCHEMBL24769040 | 0.65 | — | — | |
| SCHEMBL24001025 | 0.65 | — | — | |
| SCHEMBL24769034 | 0.65 | — | — |
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 |