⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1563585 | 0.97 | — | — | |
| SCHEMBL4584646 | 0.78 | — | — | |
| SCHEMBL82304 | 0.78 | — | — | |
| SCHEMBL31520440 | 0.75 | UHRF1 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL27508580 | 0.75 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27894074 | 0.74 | POLB (0.34) | — | |
| Boric Acid SCHEMBL28489955 | 0.69 | — | — | |
| SCHEMBL10021907 | 0.67 | CCR1 (0.41) | — | |
| SCHEMBL5666185 | 0.65 | UHRF1 (0.35) | — | |
| SCHEMBL16848019 | 0.63 | — | — |
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-108084097-B | Method for preparing 5-methyl-2-pyrazine methanol from dihydroxyacetone | 中国科学院大连化学物理研究所 | 2021-02-26 | — | — | CN | claimed |
| CN-108084097-A | A kind of method that 5- methyl -2- pyrazine methanol is prepared by dihydroxyacetone (DHA) | 中国科学院大连化学物理研究所 | 2018-05-29 | — | — | CN | claimed |
| CN-113979955-A | Preparation method of heterocyclic ester compound | 河南农业大学 | 2022-01-28 | — | — | CN | disclosed |
| CN-108707510-B | Preparation method and application of red date and tobacco composite Maillard reactant | 湖北中烟工业有限责任公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-108084097-B | Method for preparing 5-methyl-2-pyrazine methanol from dihydroxyacetone | 中国科学院大连化学物理研究所 | 2021-02-26 | — | — | CN | disclosed |
| CN-108084097-B | Method for preparing 5-methyl-2-pyrazine methanol from dihydroxyacetone | 中国科学院大连化学物理研究所 | 2021-02-26 | — | — | CN | disclosed |
| CN-108084097-B | Method for preparing 5-methyl-2-pyrazine methanol from dihydroxyacetone | 中国科学院大连化学物理研究所 | 2021-02-26 | — | — | CN | disclosed |
| CN-108934126-A | The forming method of etching solution, bulking liquor and thin copper film | MEC股份有限公司 | 2018-12-04 | — | — | CN | disclosed |
| CN-108707510-A | A kind of preparation method and applications of the compound maillard reaction thing of jujube tobacco | 湖北中烟工业有限责任公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-108084097-A | A kind of method that 5- methyl -2- pyrazine methanol is prepared by dihydroxyacetone (DHA) | 中国科学院大连化学物理研究所 | 2018-05-29 | — | — | CN | disclosed |
| CN-108084097-A | A kind of method that 5- methyl -2- pyrazine methanol is prepared by dihydroxyacetone (DHA) | 中国科学院大连化学物理研究所 | 2018-05-29 | — | — | CN | disclosed |