⚠ 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 | 0.91 | — | — | |
| SCHEMBL19074838 | 0.84 | STAT3 (0.34) | — | |
| SCHEMBL18334003 | 0.82 | KCNH2 (0.34) | — | |
| SCHEMBL18334002 | 0.82 | KCNH2 (0.34) | — | |
| SCHEMBL18334001 | 0.81 | CNR2 (0.33) | — | |
| SCHEMBL12187096 | 0.81 | — | — | |
| SCHEMBL15895844 | 0.80 | — | — | |
| SCHEMBL12444004 | 0.79 | — | — | |
| SCHEMBL18334004 | 0.79 | GPR3 (0.34) | — | |
| SCHEMBL1687644 | 0.79 | — | — |
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-2656410-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2017-07-05 | — | — | EP | disclosed |