⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22470615 | 0.93 | — | — | |
| SCHEMBL7898760 | 0.79 | — | — | |
| SCHEMBL68269 | 0.76 | — | — | |
| SCHEMBL37019 | 0.75 | — | — | |
| SCHEMBL12513244 | 0.75 | — | — | |
| SCHEMBL12060984 | 0.75 | — | — | |
| SCHEMBL9781386 | 0.73 | — | — | |
| SCHEMBL17866483 | 0.72 | — | — | |
| SCHEMBL11789618 | 0.72 | — | — | |
| SCHEMBL1234094 | 0.72 | — | — |
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-109608420-B | Method for synthesizing functionalized 1,3-butadiene based on biomass chemicals | 中国科学院长春应用化学研究所 | 2023-02-28 | — | — | CN | disclosed |
| CN-109608420-A | A method of functionalization 1,3- butadiene is synthesized based on biomass chemicals | 中国科学院长春应用化学研究所 | 2019-04-12 | — | — | CN | disclosed |