⚠ 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 | |
|---|---|---|---|---|
| Propynal SCHEMBL2123204 | 0.86 | FFAR3 (0.37) | — | |
| Propynal SCHEMBL9393 | 0.80 | — | — | |
| Propynal SCHEMBL6790133 | 0.76 | — | — | |
| Propynal SCHEMBL7970708 | 0.76 | — | — | |
| Propynal SCHEMBL11693493 | 0.76 | — | — | |
| Propynal SCHEMBL11569431 | 0.76 | — | — | |
| Butane SCHEMBL27695469 | 0.71 | — | — | |
| Propynal SCHEMBL5913822 | 0.71 | — | — | |
| Butane SCHEMBL3850680 | 0.68 | — | — | |
| Butane SCHEMBL705926 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8735388-B2 | Heterocyclic compounds with affinity to muscarinic receptors | ABBVIE B.V. (NL) | 2014-05-27 | — | — | US | disclosed |
| US-20140080861-A1 | HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS | ABBVIE B.V.A (NL) | 2014-03-20 | — | — | US | disclosed |
| US-8084473-B2 | Heterocyclic compounds with affinity to muscarinic receptors | SOLVAY PHARMACEUTICALS B.V. (NL) | 2011-12-27 | — | — | US | disclosed |
| EP-2150543-A2 | HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS | Solvay Pharmaceuticals B.V. (NL) | 2010-02-10 | — | — | EP | disclosed |
| US-20090018160-A1 | Heterocyclic Compounds with Affinity to Muscarinic Receptors | ABBVIE B.V. (NL) | 2009-01-15 | — | — | US | disclosed |
| WO-2008129054-A2 | HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS | SOLVAY PHARMACEUTICALS B.V. (NL) | 2008-10-30 | — | — | WO | disclosed |