⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9680962 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL61462 | 0.78 | — | — | |
| SCHEMBL28661533 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL31522240 | 0.75 | — | — | |
| SCHEMBL3751361 | 0.75 | — | — | |
| SCHEMBL3751363 | 0.75 | — | — | |
| SCHEMBL1649559 | 0.73 | — | — | |
| SCHEMBL6720423 | 0.73 | — | — | |
| SCHEMBL29007506 | 0.73 | — | — | |
| SCHEMBL6720424 | 0.73 | — | — |
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-116199659-B | Preparation method of 4, 4-difluoro-3, 4-dihydrocoumarin compound | 山东金吉利新材料有限公司 | 2025-05-27 | — | — | CN | disclosed |
| CN-119552053-A | Synthetic method of halogenated ethane | 浙江巨化技术中心有限公司 | 2025-03-04 | — | — | CN | disclosed |
| CN-116199659-A | Preparation method of 4, 4-difluoro-3, 4-dihydrocoumarin compound | 山东金吉利新材料有限公司 | 2023-06-02 | — | — | CN | disclosed |