⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20152823 | 0.91 | AHR (0.31) | — | |
| SCHEMBL20152638 | 0.81 | IDO1 (0.30) | — | |
| SCHEMBL20152797 | 0.81 | PGR (0.31) | — | |
| SCHEMBL17245879 | 0.81 | TDP1 (0.31) | — | |
| SCHEMBL20152785 | 0.80 | SIRT2 (0.31) | — | |
| SCHEMBL20152763 | 0.80 | AHR (0.31) | — | |
| SCHEMBL20152813 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL20152806 | 0.78 | — | — | |
| SCHEMBL20152723 | 0.77 | SIRT2 (0.30) | — | |
| SCHEMBL20152808 | 0.77 | PDE10A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305765-B1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-08-04 | — | — | EP | disclosed |