⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22931659 | 0.81 | HSP90AA1 (0.42) | — | |
| SCHEMBL30775432 | 0.81 | — | — | |
| SCHEMBL1321225 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL9529929 | 0.79 | CHRM5 (0.42) | — | |
| SCHEMBL2104942 | 0.77 | SLC6A2 (0.39) | — | |
| SCHEMBL28206696 | 0.76 | HSP90AA1 (0.38) | — | |
| SCHEMBL29006799 | 0.75 | HSP90AA1 (0.39) | — | |
| SCHEMBL14344891 | 0.74 | SLC6A2 (0.43) | — | |
| SCHEMBL30775420 | 0.74 | SLC6A2 (0.43) | — | |
| SCHEMBL20360758 | 0.74 | HSP90AA1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0000382-B1 | PYRIMIDO (4,5-C)PYRIDAZINES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-10-06 | — | — | EP | disclosed |