⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22809237 | 0.85 | — | — | |
| SCHEMBL18819239 | 0.85 | — | — | |
| SCHEMBL18818748 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL21160119 | 0.84 | STK10 (0.32) | — | |
| SCHEMBL22809240 | 0.83 | GPR84 (0.32) | — | |
| SCHEMBL18821046 | 0.82 | P2RX7 (0.32) | — | |
| SCHEMBL21159732 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL27339992 | 0.81 | NOS2 (0.34) | — | |
| SCHEMBL27254302 | 0.81 | P2RX7 (0.32) | — | |
| SCHEMBL22876011 | 0.80 | P2RX7 (0.30) | — |
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-3372593-B1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-12-23 | — | — | EP | disclosed |