⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14592819 | 0.79 | — | — | |
| SCHEMBL11940027 | 0.79 | — | — | |
| SCHEMBL276994 | 0.79 | — | — | |
| SCHEMBL9823163 | 0.78 | — | — | |
| SCHEMBL17047147 | 0.77 | — | — | |
| SCHEMBL9720660 | 0.77 | — | — | |
| SCHEMBL9440534 | 0.77 | — | — | |
| SCHEMBL15759829 | 0.74 | CA1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7356462 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL21955646 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061980-A | Thienopyrimidines as MKNK1 and MKNK2 Inhibitors | 拜耳制药股份公司 | 2016-10-26 | — | — | CN | disclosed |