⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4243839 | 1.00 | — | — | |
| SCHEMBL28545559 | 0.98 | GRIK1 (0.38) | — | |
| SCHEMBL28549012 | 0.98 | GRIK1 (0.38) | — | |
| SCHEMBL28911346 | 0.98 | GRIK1 (0.38) | — | |
| SCHEMBL28546943 | 0.98 | GRIK1 (0.38) | — | |
| SCHEMBL28560862 | 0.98 | GRIK1 (0.38) | — | |
| Methyl Phosphonate SCHEMBL10907544 | 0.89 | GRIK1 (0.34) | — | |
| SCHEMBL14879227 | 0.82 | GRIK1 (0.39) | — | |
| SCHEMBL1783016 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL5314429 | 0.80 | — | — |
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-2009053486-A1 | SOLUBLE METAL OXIDES AND METAL OXIDE SOLUTIONS | NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) | 2009-04-30 | — | — | WO | claimed |
| US-20080138600-A1 | Soluble Metal Oxides and Metal Oxide Solutions | NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) | 2008-06-12 | — | — | US | claimed |
| US-20100168175-A1 | ATPENINS | BAYER CROPSCIENCE AG (DE) | 2010-07-01 | — | — | US | disclosed |
| US-20100168175-A1 | ATPENINS | BAYER CROPSCIENCE AG (DE) | 2010-07-01 | — | — | US | disclosed |
| WO-2010069495-A1 | ATPENINS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2010-06-24 | — | — | WO | disclosed |
| WO-2009053486-A1 | SOLUBLE METAL OXIDES AND METAL OXIDE SOLUTIONS | NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) | 2009-04-30 | — | — | WO | disclosed |
| US-20080138600-A1 | Soluble Metal Oxides and Metal Oxide Solutions | NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) | 2008-06-12 | — | — | US | disclosed |