⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30797092 | 0.87 | HSD11B1 (0.34) | — | |
| SCHEMBL28946 | 0.87 | HSD11B1 (0.34) | — | |
| SCHEMBL31505623 | 0.87 | HSD11B1 (0.34) | — | |
| SCHEMBL2450689 | 0.83 | DRD2 (0.31) | — | |
| SCHEMBL16051305 | 0.83 | HSD11B1 (0.34) | — | |
| SCHEMBL15556839 | 0.79 | DRD2 (0.32) | — | |
| SCHEMBL31548383 | 0.76 | HSD11B1 (0.32) | — | |
| SCHEMBL17304077 | 0.75 | KMT2A (0.34) | — | |
| SCHEMBL31295834 | 0.72 | — | — | |
| SCHEMBL12544767 | 0.71 | CXCR2 (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 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 |