⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL47782 | 1.00 | — | — | |
| Oxirane SCHEMBL23581830 | 0.94 | LMNA (0.31) | — | |
| Butane SCHEMBL28612846 | 0.92 | PTPN1 (0.36) | — | |
| Acrylic Acid SCHEMBL23581832 | 0.85 | LMNA (0.34) | — | |
| Butyrolactone SCHEMBL1535022 | 0.84 | CA1 (0.44) | — | |
| Methacrylic Acid SCHEMBL22204657 | 0.84 | ALDH1A1 (0.34) | — | |
| Methacrylic Acid SCHEMBL5597048 | 0.84 | ALDH1A1 (0.34) | — | |
| Glycerin SCHEMBL1695600 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL491015 | 0.82 | — | — | |
| SCHEMBL12564812 | 0.80 | TP53 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5651918-A | Optically active 1,3-dioxolane derivatives carrying a mesogenic radical in the 4-position, a process for their preparation and their use as doping agents in liquid-crystal mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-07-29 | — | — | US | disclosed |
| EP-0351746-B1 | Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures | HOECHST AG (DE) | 1993-12-29 | — | — | EP | disclosed |
| EP-0351746-A1 | Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-01-24 | — | — | EP | disclosed |