⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2788060 | 0.92 | — | — | |
| SCHEMBL13196140 | 0.90 | — | — | |
| SCHEMBL13195923 | 0.88 | — | — | |
| SCHEMBL12990488 | 0.88 | — | — | |
| SCHEMBL10175316 | 0.87 | — | — | |
| SCHEMBL782829 | 0.87 | KDM4E (0.35) | — | |
| SCHEMBL29378652 | 0.87 | KDM4E (0.35) | — | |
| SCHEMBL25966392 | 0.87 | KDM4E (0.35) | — | |
| SCHEMBL802276 | 0.87 | KDM4E (0.35) | — | |
| SCHEMBL12991003 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012013271-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | disclosed |