⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18047801 | 0.90 | SPHK1 (0.58) | — | |
| SCHEMBL8638287 | 0.90 | SPHK1 (0.58) | — | |
| SCHEMBL8998415 | 0.90 | SPHK1 (0.58) | — | |
| SCHEMBL15428302 | 0.82 | — | — | |
| SCHEMBL27881377 | 0.82 | SPHK1 (0.52) | — | |
| SCHEMBL1234977 | 0.82 | SPHK1 (0.52) | — | |
| SCHEMBL7708644 | 0.82 | SPHK1 (0.52) | — | |
| SCHEMBL600713 | 0.82 | SPHK1 (0.52) | — | |
| SCHEMBL30575899 | 0.82 | SPHK1 (0.52) | — | |
| SCHEMBL258560 | 0.77 | SPHK1 (0.48) | — |
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-0415833-B1 | Optically active fluorine-containing alcohol compounds and liquid crystal compounds therefrom | SHOWA SHELL SEKIYU (JP) | 1996-09-11 | — | — | EP | disclosed |
| US-5096613-A | OPTICALLY ACTIVE FLUORINE-CONTAINING ALCOHOL COMPOUNDS AND LIQUID CRYSTAL COMPOUNDS THEREFROM | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1992-03-17 | — | — | US | disclosed |
| EP-0415833-A2 | Optically active fluorine-containing alcohol compounds and liquid crystal compounds therefrom | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1991-03-06 | — | — | EP | disclosed |