⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9084507 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL7170234 | 0.68 | — | — | |
| SCHEMBL675775 | 0.68 | — | — | |
| SCHEMBL1819740 | 0.67 | — | — | |
| SCHEMBL6027741 | 0.66 | ALDH1A1 (0.47) | — | |
| Thiobutyrolactone SCHEMBL1021969 | 0.64 | — | — | |
| Thiobutyrolactone SCHEMBL13480 | 0.64 | — | — | |
| SCHEMBL1026886 | 0.63 | — | — | |
| SCHEMBL1024257 | 0.62 | — | — | |
| SCHEMBL133712 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1817032-A2 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-08-15 | — | — | EP | claimed |
| WO-2006058294-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | claimed |
| WO-2013047904-A1 | AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING HARMFUL ARTHROPODS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-04-04 | — | — | WO | disclosed |
| WO-2012133861-A1 | DIENE AMIDES AND THEIR USE AGAINST ARTHROPODS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-04 | — | — | WO | disclosed |
| EP-1817032-A2 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006058294-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | disclosed |