⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9850602 | 0.75 | KDM4E (0.36) | — | |
| SCHEMBL9850700 | 0.75 | CYP3A4 (0.32) | — | |
| SCHEMBL9850671 | 0.70 | MAPT (0.44) | — | |
| SCHEMBL9850659 | 0.69 | SLC2A1 (0.36) | — | |
| SCHEMBL9428488 | 0.69 | SLC2A1 (0.39) | — | |
| SCHEMBL9427802 | 0.69 | SLC2A1 (0.36) | — | |
| SCHEMBL9428139 | 0.66 | RARB (0.49) | — | |
| SCHEMBL9428394 | 0.66 | MGLL (0.44) | — | |
| SCHEMBL10430533 | 0.64 | PRSS1 (0.44) | — | |
| SCHEMBL9427950 | 0.64 | MGLL (0.47) | — |
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-0409634-A2 | Liquid crystal compounds and optically active compounds | SANYO CHEMICAL INDUSTRIES LTD. (JP) | 1991-01-23 | — | — | EP | disclosed |