⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4319152 | 0.67 | HTR1A (0.32) | — | |
| SCHEMBL7854845 | 0.66 | HTR1A (0.34) | — | |
| SCHEMBL9785084 | 0.58 | HTR1A (0.39) | — | |
| SCHEMBL26941157 | 0.57 | PAOX (0.37) | — | |
| SCHEMBL7855861 | 0.57 | HTR1A (0.41) | — | |
| SCHEMBL11876830 | 0.57 | MMP1 (0.30) | — | |
| SCHEMBL2188532 | 0.56 | — | — | |
| SCHEMBL3563316 | 0.55 | SIGMAR1 (0.43) | — | |
| SCHEMBL21348650 | 0.55 | SIGMAR1 (0.41) | — | |
| SCHEMBL29043174 | 0.55 | — | — |
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-114450283-B | 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents | 法国施维雅药厂 | 2024-05-07 | — | — | CN | claimed |
| CN-114450283-B | 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents | 法国施维雅药厂 | 2024-05-07 | — | — | CN | disclosed |