⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31292993 | 0.68 | MIF (0.38) | — | |
| SCHEMBL5692424 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL6916618 | 0.65 | — | — | |
| SCHEMBL939896 | 0.64 | PDE4D (0.34) | — | |
| SCHEMBL5699490 | 0.63 | — | — | |
| SCHEMBL4996608 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL7603419 | 0.62 | TSHR (0.38) | — | |
| SCHEMBL28403484 | 0.61 | TSHR (0.39) | — | |
| SCHEMBL1523144 | 0.61 | TSHR (0.48) | — | |
| SCHEMBL14866067 | 0.59 | EPHX2 (0.34) | — |
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 |