⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1969649 | 1.00 | — | — | |
| SCHEMBL9398110 | 1.00 | — | — | |
| SCHEMBL9395919 | 0.98 | — | — | |
| SCHEMBL31408699 | 0.76 | — | — | |
| SCHEMBL11303860 | 0.76 | — | — | |
| SCHEMBL34475851 | 0.74 | — | — | |
| SCHEMBL18094449 | 0.73 | — | — | |
| SCHEMBL5853955 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL10926656 | 0.73 | — | — | |
| SCHEMBL7082278 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0376294-B1 | Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions | HITACHI LTD (JP) | 1996-03-13 | — | — | EP | disclosed |
| US-5370821-A | Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-06 | — | — | US | disclosed |
| US-5269965-A | Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions | TAKEDA CHEMICAL INDUSTRIES (JP) | 1993-12-14 | — | — | US | disclosed |
| EP-0376294-A1 | Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions | HITACHI, LTD. (JP) | 1990-07-04 | — | — | EP | disclosed |