⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8448194 | 1.00 | — | — | |
| SCHEMBL8452563 | 0.92 | — | — | |
| SCHEMBL8452558 | 0.92 | — | — | |
| SCHEMBL8454510 | 0.90 | — | — | |
| SCHEMBL8449602 | 0.87 | — | — | |
| SCHEMBL8449603 | 0.87 | — | — | |
| SCHEMBL8447664 | 0.87 | OPRL1 (0.30) | — | |
| SCHEMBL8453739 | 0.85 | EPHX2 (0.32) | — | |
| SCHEMBL8453737 | 0.85 | EPHX2 (0.32) | — | |
| SCHEMBL8453307 | 0.85 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679707-B1 | Liquid crystalline compound, liquid crystal composition and liquid crystal display element | CHISSO CORP (JP) | 1999-06-16 | — | — | EP | disclosed |
| US-5720899-A | Liquid crystalline compound, liquid crystal composition and liquid crystal display element | CHISSO CORPORATION (JP) | 1998-02-24 | — | — | US | disclosed |
| US-5653911-A | Liquid crystalline compound liquid crystal composition and liquid crystal display element | CHISSO CORPORATION (JP) | 1997-08-05 | — | — | US | disclosed |
| EP-0679707-A1 | Liquid crystalline compound, liquid crystal composition and liquid crystal display element | Chisso Corporation (JP) | 1995-11-02 | — | — | EP | disclosed |