⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL245207 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL9546121 | 0.77 | — | — | |
| SCHEMBL14972725 | 0.68 | — | — | |
| SCHEMBL6666105 | 0.66 | — | — | |
| SCHEMBL5839349 | 0.63 | TSHR (0.33) | — | |
| Acrylic Acid Methyl Ester SCHEMBL29199106 | 0.61 | KEAP1 (0.31) | — | |
| SCHEMBL28246688 | 0.61 | — | — | |
| SCHEMBL1138627 | 0.61 | TSHR (0.45) | — | |
| SCHEMBL561301 | 0.61 | TSHR (0.45) | — | |
| SCHEMBL1603671 | 0.60 | TSHR (0.37) | — |
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-112538302-B | Bionic fluorine-free coating for petroleum pipeline and preparation method thereof | 吉林大学 | 2021-12-28 | — | — | CN | claimed |
| CN-112538302-A | Bionic fluorine-free coating for petroleum pipeline and preparation method thereof | 吉林大学 | 2021-03-23 | — | — | CN | claimed |