⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9565797 | 0.76 | CHRM2 (0.39) | — | |
| SCHEMBL9565769 | 0.71 | CYP2A6 (0.44) | — | |
| SCHEMBL28273007 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL25790543 | 0.69 | PTGS2 (0.39) | — | |
| SCHEMBL24489785 | 0.68 | CYP1A2 (0.49) | — | |
| SCHEMBL17816858 | 0.67 | ALOX5 (0.43) | — | |
| SCHEMBL24849744 | 0.66 | LIMK1 (0.41) | — | |
| SCHEMBL9565763 | 0.66 | CYP2A6 (0.35) | — | |
| SCHEMBL24254929 | 0.66 | LIMK1 (0.30) | — | |
| SCHEMBL25907172 | 0.65 | CYP2A6 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023121082-A1 | NOVEL ORGANIC LIGHT EMITTING DEVICE COMPRISING TWO LIGHT EMITTING LAYERS | 에스에프씨 주식회사 | 2023-06-29 | — | — | WO | disclosed |