⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8207895 | 1.00 | — | — | |
| SCHEMBL7731788 | 1.00 | — | — | |
| SCHEMBL7733663 | 0.94 | — | — | |
| SCHEMBL7733664 | 0.94 | — | — | |
| SCHEMBL7733667 | 0.94 | — | — | |
| SCHEMBL8215474 | 0.92 | TLR4 (0.30) | — | |
| SCHEMBL7736278 | 0.92 | TLR4 (0.30) | — | |
| SCHEMBL7736273 | 0.92 | TLR4 (0.30) | — | |
| SCHEMBL8219139 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL7734420 | 0.87 | CYP1A2 (0.33) | — |
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-0929508-B1 | LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | QINETIQ LTD (GB) | 2002-03-20 | — | — | EP | disclosed |