⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31103 | 0.96 | — | — | |
| Dimethylamine SCHEMBL3189287 | 0.85 | TDP1 (0.79) | — | |
| P-Xylene SCHEMBL16684588 | 0.85 | TDP1 (0.79) | — | |
| SCHEMBL435303 | 0.79 | — | — | |
| Bicarbonate SCHEMBL9195144 | 0.79 | TDP1 (0.69) | — | |
| SCHEMBL12578009 | 0.77 | TDP1 (0.67) | — | |
| Bicarbonate SCHEMBL10415332 | 0.77 | TDP1 (0.65) | — | |
| Furan SCHEMBL10535957 | 0.77 | TDP1 (0.65) | — | |
| Formamide SCHEMBL447576 | 0.77 | TDP1 (0.65) | — | |
| Diethylamine SCHEMBL8633231 | 0.75 | TDP1 (0.61) | — |
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-116891446-B | Co-production of monomers, including at least one biobased monomer | 阿彻丹尼尔斯米德兰公司 | 2024-07-19 | — | — | CN | disclosed |
| CN-116194443-B | Co-production of monomers, including at least one biobased monomer | 阿彻丹尼尔斯米德兰公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-116891446-A | Co-production of monomers, including at least one biobased monomer | 阿彻丹尼尔斯米德兰公司 | 2023-10-17 | — | — | CN | disclosed |
| CN-116583505-A | Oxidative pretreatment of carbohydrate dehydration products comprising humins | 阿彻丹尼尔斯米德兰德公司 | 2023-08-11 | — | — | CN | disclosed |
| CN-116194443-A | Co-production of monomers, including at least one biobased monomer | 阿彻丹尼尔斯米德兰公司 | 2023-05-30 | — | — | CN | disclosed |
| WO-2014059574-A1 | DIRECT AMINATION REACTION TO PRODUCE PRIMARY OR SECONDARY AMINE | RHODIA OPERATIONS (FR) | 2014-04-24 | — | — | WO | disclosed |
| US-20100048543-A1 | PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY | ASTRAZENECA AB (SE) | 2010-02-25 | — | — | US | disclosed |
| EP-1863805-A1 | PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY | AstraZeneca AB (SE) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006082373-A1 | PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY | ASTRAZENECA AB (SE) | 2006-08-10 | — | — | WO | disclosed |