⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9321278 | 0.73 | — | — | |
| SCHEMBL4338746 | 0.69 | — | — | |
| SCHEMBL5750466 | 0.68 | — | — | |
| SCHEMBL3885051 | 0.67 | — | — | |
| SCHEMBL3883020 | 0.67 | — | — | |
| SCHEMBL1534749 | 0.64 | — | — | |
| SCHEMBL29441814 | 0.59 | — | — | |
| SCHEMBL745548 | 0.56 | — | — | |
| SCHEMBL27626616 | 0.55 | MAOA (0.56) | — | |
| SCHEMBL867014 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0466085-B1 | Thermotropic liquid crystal polyester | KURARAY CO (JP) | 1998-03-11 | — | — | EP | disclosed |
| US-5326848-A | Thermotropic liquid crystal polyester | KURARAY CO., LTD. (JP) | 1994-07-05 | — | — | US | disclosed |
| EP-0466085-A2 | Thermotropic liquid crystal polyester | KURARAY CO., LTD. (JP) | 1992-01-15 | — | — | EP | disclosed |