⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29438116 | 1.00 | — | — | |
| SCHEMBL22309887 | 0.89 | — | — | |
| SCHEMBL29831329 | 0.89 | — | — | |
| SCHEMBL24589965 | 0.81 | — | — | |
| SCHEMBL23960162 | 0.78 | PDE4A (0.33) | — | |
| SCHEMBL16540545 | 0.74 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL16540067 | 0.71 | HRH3 (0.35) | — | |
| SCHEMBL23960161 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL28856078 | 0.69 | CDK2 (0.35) | — | |
| SCHEMBL29831883 | 0.67 | HTR2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240067633-A1 | KETOHEXOKINASE INHIBITOR AND USE THEREOF | XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2024-02-29 | — | — | US | disclosed |
| US-20240067633-A1 | KETOHEXOKINASE INHIBITOR AND USE THEREOF | XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2024-02-29 | — | — | US | disclosed |
| US-20230138901-A1 | COMPOUND HAVING KHK INHIBITORY EFFECT | HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-20230138901-A1 | COMPOUND HAVING KHK INHIBITORY EFFECT | HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) | 2023-05-04 | — | — | US | disclosed |
| WO-2022262841-A1 | SALT FORM AND CRYSTAL FORM OF SPIRO COMPOUND AND PREPARATION METHOD THEREFOR | 杭州中美华东制药有限公司 | 2022-12-22 | — | — | WO | disclosed |
| CN-114989143-A | Fused-ring ketohexokinase inhibitor and application thereof | 山东轩竹医药科技有限公司 | 2022-09-02 | — | — | CN | disclosed |
| WO-2021129737-A1 | COMPOUND HAVING KHK INHIBITORY EFFECT | 南京明德新药研发有限公司 | 2021-07-01 | — | — | WO | disclosed |
| WO-2020156445-A1 | HEXONE GLUCOKINASE INHIBITOR AND USE THEREOF | 山东轩竹医药科技有限公司 | 2020-08-06 | — | — | WO | disclosed |