⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL847526 | 0.91 | — | — | |
| SCHEMBL18035 | 0.91 | — | — | |
| SCHEMBL2473867 | 0.91 | NOS2 (0.35) | — | |
| SCHEMBL10067 | 0.91 | — | — | |
| SCHEMBL31673148 | 0.91 | — | — | |
| Alcohol SCHEMBL20987119 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL23453907 | 0.88 | — | — | |
| Cyclohexane SCHEMBL20659770 | 0.88 | NOS2 (0.33) | — | |
| Cyclohexane SCHEMBL21357050 | 0.88 | NOS2 (0.33) | — | |
| Water SCHEMBL9354695 | 0.88 | — | — |
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-115850618-A | Dynamic cross-linked azobenzene liquid crystal elastomer with linear/star SBS block copolymer as main chain and preparation method thereof | 大连理工大学 | 2023-03-28 | — | — | CN | claimed |
| CN-118185222-A | SBS-based dynamic reversible cross-linked luminous liquid crystal elastomer and preparation method thereof | 大连理工大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-115850618-A | Dynamic cross-linked azobenzene liquid crystal elastomer with linear/star SBS block copolymer as main chain and preparation method thereof | 大连理工大学 | 2023-03-28 | — | — | CN | disclosed |