⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7733723 | 1.00 | — | — | |
| SCHEMBL7733718 | 1.00 | — | — | |
| SCHEMBL7733068 | 0.96 | — | — | |
| SCHEMBL7733072 | 0.96 | — | — | |
| SCHEMBL8220593 | 0.96 | — | — | |
| SCHEMBL13806820 | 0.87 | NPC1 (0.34) | — | |
| SCHEMBL8216159 | 0.87 | CYP2C9 (0.30) | — | |
| SCHEMBL8216157 | 0.87 | CYP2C9 (0.30) | — | |
| SCHEMBL7731824 | 0.87 | CYP2C9 (0.30) | — | |
| SCHEMBL7731816 | 0.87 | CYP2C9 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929508-B1 | LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | QINETIQ LTD (GB) | 2002-03-20 | — | — | EP | disclosed |
| US-6106908-A | OPTICAL APPARATUS WITH LIQUID CRYSTAL COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2000-08-22 | — | — | US | disclosed |