⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29284685 | 0.91 | CYP3A4 (0.34) | — | |
| SCHEMBL29284681 | 0.87 | — | — | |
| SCHEMBL29284689 | 0.86 | — | — | |
| SCHEMBL29284667 | 0.78 | OXTR (0.39) | — | |
| SCHEMBL29284653 | 0.77 | NPSR1 (0.35) | — | |
| SCHEMBL29284688 | 0.74 | — | — | |
| SCHEMBL29284680 | 0.74 | — | — | |
| SCHEMBL29284669 | 0.72 | OXTR (0.33) | — | |
| SCHEMBL16973459 | 0.71 | OXTR (0.40) | — | |
| SCHEMBL29284676 | 0.71 | OXTR (0.32) | — |
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-118206533-A | N-pyridazine pyrazole amide compounds | 湖南化工研究院有限公司 | 2024-06-18 | — | — | CN | claimed |
| CN-118206533-A | N-pyridazine pyrazole amide compounds | 湖南化工研究院有限公司 | 2024-06-18 | — | — | CN | disclosed |