⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28921890 | 1.00 | — | — | |
| SCHEMBL28935402 | 0.86 | MEN1 (0.38) | — | |
| SCHEMBL28921883 | 0.86 | MAPT (0.31) | — | |
| SCHEMBL30132010 | 0.86 | MEN1 (0.38) | — | |
| SCHEMBL29236135 | 0.79 | ACHE (0.33) | — | |
| SCHEMBL30100895 | 0.78 | PDE4A (0.33) | — | |
| SCHEMBL28921902 | 0.78 | PDE4A (0.33) | — | |
| SCHEMBL28921871 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL28624860 | 0.75 | MEN1 (0.44) | — | |
| SCHEMBL28677346 | 0.75 | MAPT (0.38) | — |
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 2 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-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 |