⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7757238 | 1.00 | — | — | |
| SCHEMBL7757225 | 1.00 | — | — | |
| SCHEMBL8452995 | 1.00 | — | — | |
| SCHEMBL8453778 | 0.95 | — | — | |
| SCHEMBL25548569 | 0.95 | — | — | |
| SCHEMBL16488483 | 0.92 | — | — | |
| SCHEMBL20219144 | 0.91 | — | — | |
| SCHEMBL8835127 | 0.91 | — | — | |
| SCHEMBL8835129 | 0.91 | — | — | |
| SCHEMBL13615041 | 0.89 | — | — |
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-0718387-B1 | A liquid crystal composition and a liquid crystal display element which contains it | SHINETSU CHEMICAL CO (JP) | 2001-03-14 | — | — | EP | disclosed |
| US-5762826-A | Liquid crystal composition and a liquid crystal display element which contains it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-06-09 | — | — | US | disclosed |
| EP-0718387-A1 | A liquid crystal composition and a liquid crystal display element which contains it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-06-26 | — | — | EP | disclosed |