⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12602794 | 0.96 | — | — | |
| SCHEMBL12602798 | 0.96 | — | — | |
| SCHEMBL12602801 | 0.96 | — | — | |
| SCHEMBL12602790 | 0.90 | — | — | |
| SCHEMBL12602793 | 0.89 | KDM4E (0.30) | — | |
| SCHEMBL12602788 | 0.89 | KDM4E (0.30) | — | |
| SCHEMBL12602803 | 0.89 | — | — | |
| SCHEMBL12602711 | 0.87 | — | — | |
| SCHEMBL13974301 | 0.85 | — | — | |
| SCHEMBL9965555 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8901298-B2 | Materials for organic electroluminescence devices | MERCK PATENT GMBH (DE) | 2014-12-02 | — | — | US | disclosed |
| US-8901298-B2 | Materials for organic electroluminescence devices | MERCK PATENT GMBH (DE) | 2014-12-02 | — | — | US | disclosed |
| US-20110112275-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2011-05-12 | — | — | US | disclosed |
| US-20110112275-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2011-05-12 | — | — | US | disclosed |