⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7734311 | 1.00 | — | — | |
| SCHEMBL386745 | 0.84 | — | — | |
| SCHEMBL2154068 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL6842322 | 0.78 | — | — | |
| SCHEMBL14973466 | 0.78 | — | — | |
| SCHEMBL14641005 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL14640948 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL2533242 | 0.75 | — | — | |
| SCHEMBL1132982 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL6618 | 0.74 | — | — |
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-0929508-B1 | LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | QINETIQ LTD (GB) | 2002-03-20 | — | — | EP | disclosed |
| US-6333082-B1 | USEFUL IN SUPER TWISTED NEMATIC LIQUID CRYSTAL DISPLAYS | QINETIQ LTD (GB) | 2001-12-25 | — | — | US | disclosed |
| US-5380462-A | Cyclohexyl alkenoate compounds | HOFFMANN-LA ROCHE INC. (US) | 1995-01-10 | — | — | US | disclosed |