⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25180966 | 1.00 | — | — | |
| SCHEMBL3485854 | 1.00 | — | — | |
| Water SCHEMBL16585514 | 0.97 | GRIK1 (0.41) | — | |
| Water SCHEMBL16585515 | 0.97 | GRIK1 (0.41) | — | |
| SCHEMBL24532073 | 0.81 | GRIK1 (0.38) | — | |
| SCHEMBL17086747 | 0.78 | — | — | |
| SCHEMBL7536216 | 0.77 | GRIK1 (0.42) | — | |
| SCHEMBL7536213 | 0.77 | GRIK1 (0.42) | — | |
| SCHEMBL14642603 | 0.76 | TRPA1 (0.35) | — | |
| SCHEMBL13492785 | 0.75 | GRIK1 (0.31) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12104160-B2 | Production of 4,6-dihydroxy-2-oxo-hexanoic acid | ZYMOCHEM, INC. (US) | 2024-10-01 | — | — | US | disclosed |
| CN-118272329-A | 9, 17-Dioxo-1,2,3,4,10,19-hexanorandrostane-5-carboxylic acid C-9-ketoreductase, gene and use thereof | 沈阳博泰生物制药有限公司 | 2024-07-02 | — | — | CN | disclosed |
| WO-2024030121-A1 | SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2024-02-08 | — | — | WO | disclosed |
| CN-111500498-B | Mycobacterium neogold and application thereof | 沈阳博泰生物制药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| US-20220389433-A1 | HIGH YIELD ROUTE FOR THE PRODUCTION OF COMPOUNDS FROM RENEWABLE SOURCES | ZYMOCHEM, INC. | 2022-12-08 | — | — | US | disclosed |
| CN-109251870-A | A kind of new gold mycobacteria mutant strain and its in the application for preparing HIP | 沈阳旺宁生物科技有限公司 | 2019-01-22 | — | — | CN | disclosed |
| CN-105745327-A | High-yield route for producing compounds from renewable resources | 兹莫克姆有限公司 | 2016-07-06 | — | — | CN | disclosed |
| US-20100041631-A1 | METHODS AND AGENTS FOR TREATING TUBERCULOSIS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2010-02-18 | — | — | US | disclosed |
| WO-2007118329-A1 | METHODS AND AGENTS FOR TREATING TUBERCULOSIS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2007-10-25 | — | — | WO | disclosed |