⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20114868 | 0.94 | KDM4E (0.33) | — | |
| SCHEMBL20114900 | 0.93 | KDM4E (0.32) | — | |
| SCHEMBL20114412 | 0.93 | KDM4E (0.32) | — | |
| SCHEMBL20114870 | 0.93 | KDM4E (0.36) | — | |
| SCHEMBL20114909 | 0.91 | BCHE (0.31) | — | |
| SCHEMBL20114866 | 0.90 | — | — | |
| SCHEMBL20114910 | 0.90 | BCHE (0.31) | — | |
| SCHEMBL20114871 | 0.89 | — | — | |
| SCHEMBL20114284 | 0.89 | KDM4E (0.33) | — | |
| SCHEMBL20114188 | 0.88 | KDM4E (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018080067-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME | 주식회사 두산 | 2018-05-03 | — | — | WO | disclosed |