⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8942857 | 1.00 | — | — | |
| SCHEMBL12943644 | 0.85 | HSP90AA1 (0.33) | — | |
| SCHEMBL13283453 | 0.82 | CHRM2 (0.33) | — | |
| SCHEMBL10737649 | 0.82 | — | — | |
| SCHEMBL2879251 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL5133602 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL7537953 | 0.81 | CHRM2 (0.31) | — | |
| SCHEMBL12908435 | 0.79 | — | — | |
| SCHEMBL13393993 | 0.79 | — | — | |
| SCHEMBL10740225 | 0.78 | CHRM2 (0.31) | — |
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-0467721-B1 | Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same | MITSUBISHI RAYON CO (JP) | 1996-03-27 | — | — | EP | disclosed |
| US-5480580-A | COMPOUNDS FOR VISUAL AIDS WITH GOOD STABILITY | MITSUBISHI RAYON COMPANY LTD. (JP) | 1996-01-02 | — | — | US | disclosed |
| EP-0467721-A1 | Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same | MITSUBISHI RAYON CO., LTD (JP) | 1992-01-22 | — | — | EP | disclosed |