⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2483282 | 0.94 | — | — | |
| SCHEMBL29898363 | 0.88 | — | — | |
| SCHEMBL29025926 | 0.88 | — | — | |
| Bromide SCHEMBL29031973 | 0.88 | — | — | |
| SCHEMBL48991 | 0.72 | — | — | |
| SCHEMBL7786440 | 0.72 | — | — | |
| SCHEMBL12553070 | 0.67 | — | — | |
| SCHEMBL10158553 | 0.67 | — | — | |
| SCHEMBL25546849 | 0.67 | — | — | |
| SCHEMBL28216973 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102076817-B | Organic electroluminescence device | MERCK PATENT GMBH (DE) | 2014-10-01 | — | — | CN | disclosed |