⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28139937 | 0.79 | — | — | |
| SCHEMBL28014538 | 0.72 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL28311714 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL5650657 | 0.71 | — | — | |
| SCHEMBL28145665 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL28049835 | 0.71 | KDM4E (0.38) | — | |
| SCHEMBL28118435 | 0.71 | BCAT2 (0.39) | — | |
| SCHEMBL15368024 | 0.67 | — | — | |
| SCHEMBL15368020 | 0.67 | — | — | |
| SCHEMBL4891087 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104684944-B | Polymerizable liquid crystal compound, liquid-crystal composition, macromolecular material and its manufacture method, film, Polarizer and liquid crystal indicator | 富士胶片株式会社 | 2017-03-08 | — | — | CN | claimed |
| CN-109843986-A | Spherical powder comprising crosslinked material having polyrotaxane, and method for producing same | 高级软质材料株式会社 | 2019-06-04 | — | — | CN | disclosed |
| CN-104684944-B | Polymerizable liquid crystal compound, liquid-crystal composition, macromolecular material and its manufacture method, film, Polarizer and liquid crystal indicator | 富士胶片株式会社 | 2017-03-08 | — | — | CN | disclosed |