⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8520269 | 0.96 | CNR1 (0.31) | — | |
| SCHEMBL7026142 | 0.96 | — | — | |
| SCHEMBL7021748 | 0.96 | CNR1 (0.31) | — | |
| SCHEMBL7026150 | 0.96 | — | — | |
| SCHEMBL7026145 | 0.96 | — | — | |
| SCHEMBL7021737 | 0.96 | CNR1 (0.31) | — | |
| SCHEMBL7021743 | 0.96 | CNR1 (0.31) | — | |
| SCHEMBL7017600 | 0.93 | — | — | |
| SCHEMBL7017595 | 0.93 | — | — | |
| SCHEMBL7017607 | 0.93 | — | — |
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-0929509-A1 | LIQUID CRYSTAL ALKENYL BICYCLO 2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998013326-A1 | LIQUID CRYSTAL ALKENYL BICYCLO[2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1998-04-02 | — | — | WO | disclosed |