⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19219878 | 0.84 | — | — | |
| SCHEMBL1412465 | 0.75 | — | — | |
| SCHEMBL1412551 | 0.74 | — | — | |
| SCHEMBL19937234 | 0.64 | GAA (0.41) | — | |
| SCHEMBL16856711 | 0.63 | — | — | |
| SCHEMBL16856767 | 0.63 | — | — | |
| SCHEMBL38661121 | 0.63 | — | — | |
| SCHEMBL29125175 | 0.63 | — | — | |
| SCHEMBL30815897 | 0.60 | — | — | |
| SCHEMBL16120379 | 0.57 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130281463-A1 | DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2013-10-24 | — | — | US | disclosed |
| EP-2632924-A1 | DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Novartis AG (CH) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012055888-A1 | DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2012-05-03 | — | — | WO | disclosed |
| US-20120101110-A1 | Diaza-spiro[5.5]undecanes | NOVARTIS PHARMA AG (CH) | 2012-04-26 | — | — | US | disclosed |
| EP-1991542-B1 | HERBICIDAL ISOXAZOLINE COMPOUNDS | SYNGENTA LTD (GB) | 2011-03-16 | — | — | EP | disclosed |
| US-20100004128-A1 | HERBICIDAL ISOXAZOLINE COMPOUNDS | SYNGENTA CROP PROTECTION, INC. (US) | 2010-01-07 | — | — | US | disclosed |
| US-20100004128-A1 | HERBICIDAL ISOXAZOLINE COMPOUNDS | SYNGENTA CROP PROTECTION, INC. (US) | 2010-01-07 | — | — | US | disclosed |
| US-20100004128-A1 | HERBICIDAL ISOXAZOLINE COMPOUNDS | SYNGENTA CROP PROTECTION, INC. (US) | 2010-01-07 | — | — | US | disclosed |
| CN-101389625-A | Herbicidal isoxazoline compounds | SYNGENTA LTD (GB) | 2009-03-18 | — | — | CN | disclosed |
| US-20090042726-A1 | Novel Herbicides | SYNGENTA LIMITED (GB) | 2009-02-12 | — | — | US | disclosed |
| EP-1991542-A1 | HERBICIDAL ISOXAZOLINE COMPOUNDS | Syngenta Limited (GB) | 2008-11-19 | — | — | EP | disclosed |
| EP-1965644-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007096576-A1 | HERBICIDAL ISOXAZOLINE COMPOUNDS | SYNGENTA LIMITED (GB) | 2007-08-30 | — | — | WO | disclosed |
| WO-2007071900-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2007-06-28 | — | — | WO | disclosed |