⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6127866 | 0.85 | — | — | |
| SCHEMBL8736968 | 0.81 | — | — | |
| SCHEMBL15957558 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL6124121 | 0.76 | — | — | |
| SCHEMBL8738103 | 0.76 | GPR55 (0.30) | — | |
| SCHEMBL6124140 | 0.73 | — | — | |
| SCHEMBL8737239 | 0.72 | — | — | |
| SCHEMBL8737211 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL13082713 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL24284147 | 0.69 | KDM4E (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120135980-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2012-05-31 | — | — | US | disclosed |