⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25857968 | 0.86 | CHRNA7 (0.32) | — | |
| SCHEMBL25858049 | 0.86 | — | — | |
| SCHEMBL25858046 | 0.84 | KDM4E (0.37) | — | |
| SCHEMBL25857976 | 0.82 | SCN8A (0.30) | — | |
| SCHEMBL25858048 | 0.78 | HDAC3 (0.33) | — | |
| SCHEMBL25857974 | 0.78 | HDAC3 (0.33) | — | |
| SCHEMBL25857970 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL25858055 | 0.74 | SCN8A (0.33) | — | |
| SCHEMBL25858047 | 0.71 | BCL2L1 (0.36) | — | |
| SCHEMBL25878383 | 0.71 | MAOA (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 |
|---|---|---|---|---|---|---|---|
| WO-2023134596-A1 | NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT | 烟台显华科技集团股份有限公司 | 2023-07-20 | — | — | WO | disclosed |