⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL802173 | 0.84 | MAT2A (0.37) | — | |
| SCHEMBL13195911 | 0.83 | KDM4E (0.38) | — | |
| SCHEMBL13493190 | 0.82 | KDM4E (0.38) | — | |
| SCHEMBL802466 | 0.80 | MAT2A (0.34) | — | |
| SCHEMBL12990707 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL13493191 | 0.77 | — | — | |
| SCHEMBL17228848 | 0.76 | MAT2A (0.34) | — | |
| SCHEMBL9883255 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL9883202 | 0.75 | — | — | |
| SCHEMBL17070996 | 0.74 | MAT2A (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 |
|---|---|---|---|---|---|---|---|
| WO-2010136109-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | disclosed |