⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21250631 | 0.89 | — | — | |
| SCHEMBL12700284 | 0.89 | — | — | |
| SCHEMBL13862973 | 0.87 | — | — | |
| SCHEMBL10052474 | 0.86 | — | — | |
| SCHEMBL13862971 | 0.85 | — | — | |
| SCHEMBL12334308 | 0.83 | — | — | |
| SCHEMBL18294168 | 0.82 | — | — | |
| SCHEMBL12655588 | 0.81 | — | — | |
| SCHEMBL19445066 | 0.81 | — | — | |
| SCHEMBL19074837 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011141109-A1 | ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011076325-A1 | COMPOSITIONS COMPRISING POLYMERIC BINDERS | MERCK PATENT GMBH (DE) | 2011-06-30 | — | — | WO | disclosed |
| WO-2011035835-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2011-03-31 | — | — | WO | disclosed |