⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630447 | 0.62 | — | — | |
| SCHEMBL15914282 | 0.61 | GSK3A (0.42) | — | |
| SCHEMBL6289130 | 0.61 | — | — | |
| SCHEMBL3630449 | 0.61 | — | — | |
| SCHEMBL8803337 | 0.59 | — | — | |
| SCHEMBL13677131 | 0.58 | — | — | |
| SCHEMBL18290453 | 0.58 | — | — | |
| SCHEMBL4138035 | 0.58 | — | — | |
| Bromide SCHEMBL19031040 | 0.58 | PARP1 (0.91) | — | |
| Iodide SCHEMBL7226882 | 0.58 | PARP1 (0.91) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022143740-A1 | ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF | 浙江春禾医药科技有限公司 | 2022-07-07 | — | — | WO | disclosed |
| EP-2920176-B1 | AMINOIMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS | Bayer Pharma AG (DE) | 2017-09-13 | — | — | EP | disclosed |
| EP-2714692-B1 | SUBSTITUTED AMINOIMIDAZOPYRIDAZINES | BAYER IP GMBH (DE) | 2017-03-22 | — | — | EP | disclosed |
| WO-2015104254-A1 | AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-07-16 | — | — | WO | disclosed |