⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1247747 | 0.78 | MAPK1 (0.42) | — | |
| SCHEMBL13165482 | 0.73 | KCNJ1 (0.52) | — | |
| SCHEMBL9565082 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL4927935 | 0.68 | KCNJ1 (0.44) | — | |
| SCHEMBL31058098 | 0.65 | KCNJ1 (0.46) | — | |
| SCHEMBL398283 | 0.65 | — | — | |
| SCHEMBL1526202 | 0.65 | — | — | |
| SCHEMBL3603082 | 0.64 | KCNJ1 (0.44) | — | |
| SCHEMBL3603079 | 0.64 | KCNJ1 (0.44) | — | |
| SCHEMBL21935846 | 0.64 | KCNJ1 (0.44) | — |
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-107266419-B | Certain amino-pyridazines, compositions thereof, and methods of use thereof | 赛特凯恩蒂克公司 | 2021-05-11 | — | — | CN | disclosed |