⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13290227 | 0.82 | — | — | |
| SCHEMBL3901431 | 0.73 | — | — | |
| SCHEMBL16211144 | 0.68 | CYP2C19 (0.32) | — | |
| SCHEMBL11213063 | 0.68 | — | — | |
| SCHEMBL20003186 | 0.67 | APLNR (0.31) | — | |
| SCHEMBL9156224 | 0.66 | APLNR (0.36) | — | |
| SCHEMBL29054015 | 0.66 | APLNR (0.32) | — | |
| SCHEMBL20002083 | 0.65 | — | — | |
| SCHEMBL3112772 | 0.64 | ESR2 (0.45) | — | |
| SCHEMBL16693039 | 0.64 | ARG1 (0.33) | — |
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-112592467-B | High glass transition temperature low melting point polyester, polyester product, and preparation method and application thereof | 中国科学院宁波材料技术与工程研究所 | 2021-04-30 | — | — | CN | disclosed |
| CN-112592467-A | High glass transition temperature low melting point polyester, polyester product, and preparation method and application thereof | 中国科学院宁波材料技术与工程研究所 | 2021-04-02 | — | — | CN | disclosed |