⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20176807 | 0.84 | MAPT (0.35) | — | |
| SCHEMBL20176650 | 0.83 | LPL (0.36) | — | |
| SCHEMBL15803156 | 0.81 | LPL (0.37) | — | |
| SCHEMBL20176454 | 0.75 | LPL (0.38) | — | |
| SCHEMBL20176833 | 0.74 | LIPG (0.44) | — | |
| SCHEMBL20176693 | 0.74 | LIPG (0.44) | — | |
| SCHEMBL20176628 | 0.71 | LIPG (0.47) | — | |
| SCHEMBL26626380 | 0.71 | NPC1 (0.39) | — | |
| SCHEMBL20176444 | 0.70 | LIPG (0.50) | — | |
| SCHEMBL20176565 | 0.70 | LIPG (0.40) | — |
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-2018093231-A1 | ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME | 주식회사 두산 | 2018-05-24 | — | — | WO | disclosed |