⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20405155 | 0.84 | HDAC3 (0.32) | — | |
| SCHEMBL23655242 | 0.82 | APP (0.34) | — | |
| SCHEMBL23654925 | 0.79 | ACHE (0.34) | — | |
| SCHEMBL20405094 | 0.75 | PTGES (0.32) | — | |
| SCHEMBL20405042 | 0.74 | GRIN2B (0.41) | — | |
| SCHEMBL20405131 | 0.73 | LTB4R2 (0.32) | — | |
| SCHEMBL24914140 | 0.72 | — | — | |
| SCHEMBL20407097 | 0.70 | — | — | |
| SCHEMBL20407193 | 0.69 | CNR2 (0.32) | — | |
| SCHEMBL23655120 | 0.69 | — | — |
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-3351537-B1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2023-01-18 | — | — | EP | disclosed |