⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL486485 | 0.87 | TSHR (0.31) | — | |
| Phosphine SCHEMBL28531842 | 0.84 | TSHR (0.35) | — | |
| Fluoride SCHEMBL12079669 | 0.84 | — | — | |
| SCHEMBL31243806 | 0.82 | — | — | |
| SCHEMBL24089730 | 0.80 | — | — | |
| SCHEMBL28774804 | 0.78 | — | — | |
| SCHEMBL29253528 | 0.77 | — | — | |
| SCHEMBL2871050 | 0.75 | — | — | |
| Fluoride SCHEMBL1276977 | 0.74 | — | — | |
| SCHEMBL2231830 | 0.73 | ALDH1A1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116836086-B | Multifunctional AIE optical diagnosis and treatment molecule, azide compound thereof, synthesis method and application | 华中科技大学同济医学院附属同济医院 | 2025-06-24 | — | — | CN | claimed |
| CN-116947792-B | Aggregation-induced emission type photosensitizer with I-type active oxygen and photo-thermal generation capacity and preparation method and application thereof | 内蒙古大学 | 2023-12-26 | — | — | CN | claimed |
| CN-116947792-A | Aggregation-induced emission type photosensitizer with I-type active oxygen and photo-thermal generation capacity and preparation method and application thereof | 内蒙古大学 | 2023-10-27 | — | — | CN | claimed |
| CN-119954861-A | Organic compound, hole transport layer, perovskite solar cell and preparation method | 天合光能股份有限公司 | 2025-05-09 | — | — | CN | disclosed |
| CN-112778311-B | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-116947792-B | Aggregation-induced emission type photosensitizer with I-type active oxygen and photo-thermal generation capacity and preparation method and application thereof | 内蒙古大学 | 2023-12-26 | — | — | CN | disclosed |
| CN-116947792-A | Aggregation-induced emission type photosensitizer with I-type active oxygen and photo-thermal generation capacity and preparation method and application thereof | 内蒙古大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-116478005-A | Free radical-containing spiro molecular material and preparation method and application thereof | 深圳大学 | 2023-07-25 | — | — | CN | disclosed |