⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14533726 | 0.84 | — | — | |
| SCHEMBL765481 | 0.84 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28100914 | 0.76 | — | — | |
| SCHEMBL20076697 | 0.71 | — | — | |
| Formic Acid SCHEMBL28100797 | 0.70 | ADH1C (0.35) | — | |
| SCHEMBL764947 | 0.69 | — | — | |
| Formic Acid SCHEMBL29064838 | 0.69 | — | — | |
| Formic Acid SCHEMBL27742985 | 0.68 | TRPM8 (0.47) | — | |
| SCHEMBL29293535 | 0.68 | — | — | |
| Formic Acid SCHEMBL29083579 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105916855-B | Substituted 4, 5, 6, 7-tetrahydropyrazolo [1,5-a ] pyrazine derivatives as casein kinase 1D/E inhibitors | 百时美施贵宝公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-105916855-A | Substituted 4,5,6, 7-tetrahydropyrazolo [1,5-a ] pyrazine derivatives as casein kinase 1D/E inhibitors | 百时美施贵宝公司 | 2016-08-31 | — | — | CN | disclosed |