⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19051667 | 0.83 | NR3C1 (0.34) | — | |
| SCHEMBL22244706 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL13978080 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL13978079 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL19052227 | 0.79 | NR3C1 (0.34) | — | |
| SCHEMBL18902994 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL16809466 | 0.76 | KDM4E (0.41) | — | |
| SCHEMBL16809532 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL4402880 | 0.75 | — | — | |
| SCHEMBL14849496 | 0.74 | — | — |
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-2017111360-A1 | ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | 주식회사 두산 | 2017-06-29 | — | — | WO | disclosed |