⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20828552 | 0.92 | PLA2G2A (0.32) | — | |
| SCHEMBL20828556 | 0.92 | PLA2G2A (0.32) | — | |
| SCHEMBL20828564 | 0.89 | MAPT (0.33) | — | |
| SCHEMBL20828665 | 0.87 | ABCB1 (0.36) | — | |
| SCHEMBL20828655 | 0.87 | ABCB1 (0.36) | — | |
| SCHEMBL20828551 | 0.87 | — | — | |
| SCHEMBL20828761 | 0.86 | TDP1 (0.35) | — | |
| SCHEMBL20828682 | 0.86 | ALOX5 (0.32) | — | |
| SCHEMBL20828550 | 0.86 | WEE1 (0.30) | — | |
| SCHEMBL17126787 | 0.84 | CA12 (0.37) | — |
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-2019054599-A1 | ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | (주)피엔에이치테크 | 2019-03-21 | — | — | WO | disclosed |