⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL124959 | 0.82 | — | — | |
| SCHEMBL5582375 | 0.76 | — | — | |
| SCHEMBL30770 | 0.76 | CXCR4 (0.47) | — | |
| SCHEMBL1461682 | 0.74 | — | — | |
| SCHEMBL21261840 | 0.74 | — | — | |
| SCHEMBL1461683 | 0.74 | — | — | |
| SCHEMBL19018827 | 0.73 | — | — | |
| SCHEMBL3336999 | 0.73 | — | — | |
| SCHEMBL3337002 | 0.73 | — | — | |
| SCHEMBL23961874 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015107117-A1 | (HET)ARYLALKENYL COMPOUNDS AND THEIR USE FOR CONTROLLING INVERTEBRATE PESTS | BASF SE (DE) | 2015-07-23 | — | — | WO | disclosed |
| US-20130281435-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2013-10-24 | — | — | US | disclosed |
| US-20110136788-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-06-09 | — | — | US | disclosed |
| EP-2322222-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | Takeda Pharmaceutical Company Limited (JP) | 2011-05-18 | — | — | EP | disclosed |
| US-7625887-B2 | Receptor agonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-01 | — | — | US | disclosed |
| US-20060199795-A1 | Receptor agonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-09-07 | — | — | US | disclosed |
| EP-1591120-A1 | RECEPTOR AGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2005-11-02 | — | — | EP | disclosed |