⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20065536 | 0.98 | KDM4E (0.32) | — | |
| SCHEMBL20065532 | 0.97 | ALDH1A1 (0.32) | — | |
| SCHEMBL20065540 | 0.96 | KDM4E (0.32) | — | |
| SCHEMBL20065529 | 0.96 | ALDH1A1 (0.33) | — | |
| SCHEMBL20066181 | 0.95 | L3MBTL1 (0.31) | — | |
| SCHEMBL20066190 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL20065530 | 0.93 | KMT2A (0.30) | — | |
| SCHEMBL20066284 | 0.92 | PDE6D (0.32) | — | |
| SCHEMBL20065744 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL20066191 | 0.91 | ALDH1A1 (0.34) | — |
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-2018070835-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | 주식회사 두산 | 2018-04-19 | — | — | WO | disclosed |