⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22841963 | 1.00 | — | — | |
| SCHEMBL22841777 | 0.99 | — | — | |
| SCHEMBL22842401 | 0.94 | MEN1 (0.32) | — | |
| SCHEMBL22841962 | 0.93 | — | — | |
| SCHEMBL22671384 | 0.93 | MEN1 (0.34) | — | |
| SCHEMBL22671385 | 0.93 | MEN1 (0.34) | — | |
| SCHEMBL22842191 | 0.93 | MEN1 (0.33) | — | |
| SCHEMBL22842392 | 0.93 | BACE1 (0.31) | — | |
| SCHEMBL22841500 | 0.92 | MEN1 (0.35) | — | |
| SCHEMBL22671386 | 0.92 | MEN1 (0.35) | — |
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-3595025-B1 | ORGANIC LIGHT EMITTING ELEMENT | LG CHEMICAL LTD (KR) | 2020-12-30 | — | — | EP | disclosed |