⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28633593 | 0.74 | APP (0.32) | — | |
| SCHEMBL28666491 | 0.58 | APP (0.33) | — | |
| Diphenylacetylene SCHEMBL27926128 | 0.55 | APP (0.80) | — | |
| Diphenylacetylene SCHEMBL21271527 | 0.55 | APP (0.80) | — | |
| SCHEMBL28007432 | 0.55 | — | — | |
| SCHEMBL10625898 | 0.54 | APP (0.50) | — | |
| SCHEMBL6570554 | 0.53 | APP (0.42) | — | |
| Diphenylacetylene SCHEMBL960609 | 0.52 | APP (1.00) | — | |
| Diphenylacetylene SCHEMBL29188592 | 0.52 | APP (1.00) | — | |
| Diphenylacetylene SCHEMBL68254 | 0.52 | APP (1.00) | — |
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-113528148-A | Liquid crystal medium for high-frequency technology and assembly thereof | 西安近代化学研究所 | 2021-10-22 | — | — | CN | disclosed |
| CN-113528149-A | Liquid crystal compound, liquid crystal composition and high-frequency assembly comprising liquid crystal compound | 西安近代化学研究所 | 2021-10-22 | — | — | CN | disclosed |