⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15031460 | 0.90 | CCNC (0.31) | — | |
| SCHEMBL30061 | 0.90 | — | — | |
| SCHEMBL29175 | 0.88 | CCNC (0.31) | — | |
| SCHEMBL43136 | 0.88 | CCNC (0.31) | — | |
| SCHEMBL17781809 | 0.86 | DGAT1 (0.30) | — | |
| SCHEMBL15031462 | 0.85 | CFTR (0.31) | — | |
| SCHEMBL12503599 | 0.84 | GRM4 (0.31) | — | |
| SCHEMBL22613 | 0.83 | MEN1 (0.34) | — | |
| SCHEMBL10237470 | 0.83 | DGAT1 (0.35) | — | |
| SCHEMBL10237467 | 0.82 | DGAT1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2608668-A1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | Merck Sharp & Dohme Corp. (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012027234-A1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |