⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1330343 | 0.78 | — | — | |
| SCHEMBL104405 | 0.77 | — | — | |
| SCHEMBL30817503 | 0.73 | — | — | |
| SCHEMBL29919294 | 0.72 | — | — | |
| SCHEMBL1191767 | 0.72 | — | — | |
| SCHEMBL766842 | 0.72 | — | — | |
| SCHEMBL30511732 | 0.71 | — | — | |
| SCHEMBL16689107 | 0.69 | TTR (0.33) | — | |
| SCHEMBL5360130 | 0.69 | KCNH3 (0.37) | — | |
| SCHEMBL5378435 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022261427-A1 | (4-(6-((2-OCTAHYDROCYCLOPENTA[C]PYRROL-5-YL)AMINO)PYRIDAZIN-3-YL)PHENYL)(IMINO)(METHYL)-LAMBDA6- SULFANONE DERIVATIVES AND SIMILAR COMPOUNDS AS MUSCARINIC ACETYLCHOLINE RECEPTOR M4 ANTAGONISTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | VANDERBILT UNIVERSITY (US) | 2022-12-15 | — | — | WO | disclosed |
| WO-2022216655-A1 | N-(6-((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YI)AMINO)PYRIDAZIN-3-YL)PHENYL)CARBOXAMIDE AND (6- ((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YL)AMINO)PYRIDAZIN-3-YL)BENZAMIDE DERIVATIVES AS MACHR M4 ANTAGONISTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | VANDERBILT UNIVERSITY (US) | 2022-10-13 | — | — | WO | disclosed |
| WO-2022212819-A1 | INDAZOLE DERIVATIVES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2022-10-06 | — | — | WO | disclosed |