⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5367705 | 0.77 | — | — | |
| SCHEMBL5838774 | 0.77 | ESR1 (0.38) | — | |
| SCHEMBL24702 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL27381181 | 0.77 | KCNN4 (0.36) | — | |
| SCHEMBL3371 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL68480 | 0.77 | TSHR (0.55) | — | |
| Water SCHEMBL27821326 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL11900111 | 0.75 | KCNN4 (0.35) | — | |
| Benzene SCHEMBL8005754 | 0.75 | TSHR (0.52) | — | |
| SCHEMBL3891340 | 0.75 | TSHR (0.46) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116854683-A | Coumarin thiazole derivative and preparation method and application thereof | 中北大学 | 2023-10-10 | — | — | CN | claimed |
| CN-116444398-B | Preparation method of ketoprofen intermediate formula III | 浙江瑞博制药有限公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-116854683-A | Coumarin thiazole derivative and preparation method and application thereof | 中北大学 | 2023-10-10 | — | — | CN | disclosed |
| CN-116554017-A | Three-step preparation method of ketoprofen general formula compound | 浙江瑞博制药有限公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-116444361-A | Six-step preparation method of ketoprofen general formula compound | 浙江瑞博制药有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-116444398-A | Preparation method of ketoprofen intermediate formula III | 浙江瑞博制药有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-109651155-B | Ketone ibuprofen intermediate and preparation method and application thereof | 浙江瑞博制药有限公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-110857269-A | Ketone ibuprofen intermediate and preparation method and application thereof | 江苏瑞科医药科技有限公司 | 2020-03-03 | — | — | CN | disclosed |
| CN-109651155-A | Ketone ibuprofen intermediate and preparation method and application thereof | 浙江瑞博制药有限公司 | 2019-04-19 | — | — | CN | disclosed |
| US-7259155-B2 | Phosphonic diester derivatives | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2007-08-21 | — | — | US | disclosed |
| US-20050256087-A1 | Phosphonic acid diester compounds | OTSUKA PHARMACEUTICAL FACTORY, INC. | 2005-11-17 | — | — | US | disclosed |