⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3361218 | 0.62 | — | — | |
| SCHEMBL29017880 | 0.61 | — | — | |
| SCHEMBL24837128 | 0.57 | — | — | |
| Nitrobenzene SCHEMBL4979520 | 0.55 | — | — | |
| SCHEMBL21650075 | 0.52 | RAB9A (0.33) | — | |
| SCHEMBL3295797 | 0.51 | LMNA (0.39) | — | |
| SCHEMBL10906198 | 0.51 | — | — | |
| SCHEMBL31339221 | 0.51 | — | — | |
| Hydrogen Peroxide SCHEMBL28709584 | 0.48 | MEN1 (0.60) | — | |
| Hydrogen Peroxide SCHEMBL28789390 | 0.47 | ALDH1A1 (0.72) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116209446-B | 7- (Piperidin-1-yl) -4H-pyrimido [1,2-B ] pyridazin-4-one derivatives as positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德堡大学 | 2025-05-13 | — | — | CN | disclosed |
| CN-119112906-A | Methods and compositions for treating epileptic disorders | 奥维德医疗公司 | 2024-12-13 | — | — | CN | disclosed |
| CN-111225913-B | Indazole compounds, compositions and methods for treating neurological dysfunction as MGLUR4 allosteric enhancers | 范德比尔特大学 | 2024-05-31 | — | — | CN | disclosed |
| CN-117295731-A | Prodrugs of PDE10 compounds | 默沙东有限责任公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-116888115-A | Difluoromethyl-pyridin-2-yl triazoles | 勃林格殷格翰国际有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-110612310-B | anti-CLDN-5 antibodies and medicaments containing the same | 国立大学法人大阪大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-116209446-A | 7- (piperidin-1-yl) -4H-pyrimido [1,2-B ] pyridazin-4-one derivatives as positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德堡大学 | 2023-06-02 | — | — | CN | disclosed |
| CN-116178391-A | Forward allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-116041365-A | Muscarinic acetylcholine receptorsBody M 4 Positive allosteric modulators of (2) | 范德比尔特大学 | 2023-05-02 | — | — | CN | disclosed |