⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13221818 | 0.84 | — | — | |
| SCHEMBL883345 | 0.82 | — | — | |
| SCHEMBL13523750 | 0.82 | — | — | |
| SCHEMBL13746674 | 0.82 | — | — | |
| SCHEMBL26702841 | 0.79 | — | — | |
| SCHEMBL92878 | 0.79 | — | — | |
| SCHEMBL27720545 | 0.77 | L3MBTL1 (0.35) | — | |
| SCHEMBL8216547 | 0.76 | — | — | |
| SCHEMBL4549772 | 0.76 | — | — | |
| SCHEMBL25006126 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8394952-B2 | Dihydrodiazepines useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-12 | — | — | US | disclosed |
| US-20120149898-A1 | DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | US | disclosed |