⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12602788 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL12602793 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL12602711 | 0.91 | — | — | |
| SCHEMBL12602787 | 0.87 | PDK2 (0.32) | — | |
| SCHEMBL12602790 | 0.85 | — | — | |
| SCHEMBL12602801 | 0.85 | — | — | |
| SCHEMBL12602798 | 0.85 | — | — | |
| SCHEMBL12602794 | 0.85 | — | — | |
| SCHEMBL12602712 | 0.82 | — | — | |
| SCHEMBL12602716 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2340290-B1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | EP | disclosed |