⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1669344 | 0.74 | CYP3A4 (0.36) | — | |
| SCHEMBL7603381 | 0.71 | — | — | |
| SCHEMBL9504587 | 0.71 | — | — | |
| SCHEMBL18260152 | 0.71 | — | — | |
| SCHEMBL7182451 | 0.69 | — | — | |
| SCHEMBL30360655 | 0.69 | — | — | |
| SCHEMBL1669366 | 0.69 | — | — | |
| SCHEMBL28780046 | 0.68 | — | — | |
| SCHEMBL6534939 | 0.67 | — | — | |
| SCHEMBL27791728 | 0.65 | — | — |
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-115536762-A | Differential photoresponse and isomerization reversible liquid crystal grafted modified polystyrene with wide liquid crystal temperature domain and preparation method thereof | 大连理工大学 | 2022-12-30 | — | — | CN | claimed |
| CN-115536762-B | Liquid crystal grafted modified polystyrene with wide liquid crystal temperature range, differential photoresponse and reversible isomerization and preparation method thereof | 大连理工大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-115536762-A | Differential photoresponse and isomerization reversible liquid crystal grafted modified polystyrene with wide liquid crystal temperature domain and preparation method thereof | 大连理工大学 | 2022-12-30 | — | — | CN | disclosed |