⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20152642 | 0.89 | — | — | |
| SCHEMBL20152822 | 0.88 | NQO1 (0.30) | — | |
| SCHEMBL20152722 | 0.88 | — | — | |
| SCHEMBL20152799 | 0.88 | — | — | |
| SCHEMBL20152772 | 0.87 | CYP1A2 (0.32) | — | |
| SCHEMBL20152767 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL20152766 | 0.85 | MAPT (0.33) | — | |
| SCHEMBL20152775 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL20152768 | 0.84 | PDE6D (0.35) | — | |
| SCHEMBL20152785 | 0.83 | SIRT2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10580996-B2 | Polycyclic compound and organic light-emitting element comprising same | LG CHEM, LTD. (KR) | 2020-03-03 | — | — | US | disclosed |
| US-20180138421-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-05-17 | — | — | US | disclosed |
| US-20180138421-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-05-17 | — | — | US | disclosed |