⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13354747 | 0.97 | — | — | |
| SCHEMBL13312865 | 0.97 | — | — | |
| SCHEMBL22300 | 0.97 | — | — | |
| SCHEMBL27471686 | 0.94 | — | — | |
| SCHEMBL30132067 | 0.94 | — | — | |
| SCHEMBL5052379 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL11386315 | 0.86 | TSHR (0.38) | — | |
| SCHEMBL29172867 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL825422 | 0.75 | — | — | |
| SCHEMBL5872623 | 0.73 | ALDH1A1 (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118027260-A | High-selectivity polymer material with adjustable repeating unit carbon skeleton structure and preparation method thereof | 大连理工大学 | 2024-05-14 | — | — | CN | disclosed |
| CN-115124645-B | Polyolefin material with crystalline alternating structure and preparation method thereof | 大连理工大学 | 2023-07-21 | — | — | CN | disclosed |
| CN-116217769-A | Liquid rubber with gradual change monomer sequence structure and preparation method thereof | 中国科学院大连化学物理研究所 | 2023-06-06 | — | — | CN | disclosed |
| CN-115073636-B | Polyolefin luminescent material with adjustable repeating unit carbon skeleton structure and in-chain repeating unit sequence structure and preparation method thereof | 大连理工大学 | 2023-05-09 | — | — | CN | disclosed |
| CN-113354777-B | Preparation method of multifunctional SIBR (silicon-oxygen-nitrogen-containing) integrated rubber with adjustable silicon-oxygen/nitrogen group sequence by one-step feeding control | 大连理工大学（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-110041477-A | A kind of amido multifunction transparent butadiene-styrene impact resin and preparation method thereof | 大连理工大学 | 2019-07-23 | — | — | CN | disclosed |
| CN-108997531-A | Multifunction solution polymerized butadiene styrene rubber and preparation method thereof in a kind of siliceous oxygen groups/amine groups end of the chain chain | 大连理工大学 | 2018-12-14 | — | — | CN | disclosed |
| CN-105837751-A | Siloxy-containing chain-end in-chain multi-functional solution polymerized styrene-butadiene rubber and a preparing method thereof | 大连理工大学 | 2016-08-10 | — | — | CN | disclosed |