⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21728407 | 0.76 | — | — | |
| SCHEMBL21728294 | 0.74 | HSD11B1 (0.32) | — | |
| SCHEMBL21728225 | 0.70 | — | — | |
| SCHEMBL21728368 | 0.69 | SLC6A2 (0.31) | — | |
| SCHEMBL21728514 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL21728391 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL21728303 | 0.66 | — | — | |
| SCHEMBL21728296 | 0.65 | SLC6A2 (0.34) | — | |
| SCHEMBL21728406 | 0.64 | — | — | |
| SCHEMBL23019078 | 0.62 | MEN1 (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 |
|---|---|---|---|---|---|---|---|
| EP-3214084-B1 | CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-02-19 | — | — | EP | disclosed |