⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4190147 | 0.82 | — | — | |
| SCHEMBL7894770 | 0.80 | — | — | |
| SCHEMBL21894178 | 0.78 | — | — | |
| SCHEMBL6232900 | 0.78 | — | — | |
| SCHEMBL18626716 | 0.77 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL6236907 | 0.77 | NOS1 (0.45) | — | |
| SCHEMBL13142433 | 0.77 | NOS1 (0.48) | — | |
| SCHEMBL27884556 | 0.76 | — | — | |
| SCHEMBL14895154 | 0.75 | NOS1 (0.39) | — | |
| SCHEMBL2820592 | 0.75 | ALDH1A1 (0.43) | — |
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-1167687-C | Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors | ���Ͽع�����˾ | 2004-09-22 | — | — | CN | disclosed |
| CN-1277605-A | Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors | ABBOTT LAB (US) | 2000-12-20 | — | — | CN | disclosed |