⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5276371 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL422868 | 0.73 | — | — | |
| SCHEMBL687481 | 0.73 | — | — | |
| SCHEMBL1601687 | 0.73 | — | — | |
| SCHEMBL29034411 | 0.71 | — | — | |
| SCHEMBL4196105 | 0.70 | — | — | |
| SCHEMBL7875334 | 0.70 | — | — | |
| SCHEMBL27604296 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL4964191 | 0.69 | — | — | |
| Methylamine SCHEMBL28188163 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-7763640-B2 | Substituted oxyguanidines | BAYER CORPSCIENCE AG (DE) | 2010-07-27 | — | — | US | disclosed |
| EP-2184280-A1 | Substituted oxyguanidines | Bayer CropScience AG (DE) | 2010-05-12 | — | — | EP | disclosed |
| US-20080312297-A1 | Substituted Oxyguanidines | BAYER CROPSCIENCE AG (DE) | 2008-12-18 | — | — | US | disclosed |
| EP-1819685-A1 | SUBSTITUTED OXYGUANIDINES | Bayer CropScience AG (DE) | 2007-08-22 | — | — | EP | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |
| WO-2006056333-A1 | SUBSTITUTED OXYGUANIDINES | BAYER CROPSCIENCE AG (DE) | 2006-06-01 | — | — | WO | disclosed |