⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14742645 | 0.88 | FFAR3 (0.32) | — | |
| SCHEMBL31099417 | 0.72 | FFAR3 (0.32) | — | |
| SCHEMBL6897680 | 0.72 | FFAR3 (0.50) | — | |
| SCHEMBL11005333 | 0.69 | — | — | |
| Bicarbonate SCHEMBL28191678 | 0.67 | — | — | |
| SCHEMBL26699488 | 0.67 | NPSR1 (0.33) | — | |
| SCHEMBL16837716 | 0.67 | — | — | |
| SCHEMBL9708741 | 0.67 | FFAR3 (0.38) | — | |
| SCHEMBL9708626 | 0.67 | FFAR3 (0.32) | — | |
| SCHEMBL28281980 | 0.65 | MAPK1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108929304-B | Preparation method of trans-2-substituent-5-carboxyl-1, 3-dioxane | 正大天晴药业集团股份有限公司 | 2022-09-20 | — | — | CN | claimed |
| CN-108929304-B | Preparation method of trans-2-substituent-5-carboxyl-1, 3-dioxane | 正大天晴药业集团股份有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-108929304-B | Preparation method of trans-2-substituent-5-carboxyl-1, 3-dioxane | 正大天晴药业集团股份有限公司 | 2022-09-20 | — | — | CN | disclosed |
| US-20220056033-A1 | ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF | TEON THERAPEUTICS, INC. | 2022-02-24 | — | — | US | disclosed |
| US-11124515-B2 | Adenosine receptor antagonists and uses thereof | TEON THERAPEUTICS, INC. (US) | 2021-09-21 | — | — | US | disclosed |
| US-20210163483-A1 | ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF | TEON THERAPEUTICS, INC. | 2021-06-03 | — | — | US | disclosed |
| US-20210040097-A1 | ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF | TEON THERAPEUTICS, INC. | 2021-02-11 | — | — | US | disclosed |
| CN-106243080-A | Use the manufacture method of the carbonyl compound of decarboxylic reaction | DIC株式会社 | 2016-12-21 | — | — | CN | disclosed |
| WO-2009086192-A1 | BIODEGRADABLE PHOSPHATE PROTECTED NUCLEOTIDE DERIVATIVES AND THEIR USE AS CANCER, ANTI VIRAL AND ANTI PARASITIC AGENTS | ALIOS BIOPHARMA, INC. (US) | 2009-07-09 | — | — | WO | disclosed |