⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3180158 | 0.88 | — | — | |
| SCHEMBL3169698 | 0.83 | — | — | |
| SCHEMBL2429219 | 0.80 | ADAM17 (0.32) | — | |
| SCHEMBL16592262 | 0.79 | — | — | |
| SCHEMBL8648027 | 0.76 | GRIN2D (0.35) | — | |
| SCHEMBL3765473 | 0.75 | — | — | |
| SCHEMBL1722032 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL1722031 | 0.74 | — | — | |
| SCHEMBL3163581 | 0.74 | — | — | |
| SCHEMBL5116268 | 0.73 | GAA (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8629084-B2 | Iodine-phenyl-substituted cyclic cetoenols | BAYER CROPSCIENCE AG (DE) | 2014-01-14 | — | — | US | disclosed |
| EP-1791816-B1 | IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS | BAYER CROPSCIENCE AG (DE) | 2012-08-22 | — | — | EP | disclosed |
| US-20100009850-A1 | Iodine-phenyl-substituted cyclic cetoenols | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| EP-1791816-A1 | IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS | Bayer CropScience Aktiengesellschaft (DE) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006029799-A1 | IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS | BAYER CROPSCIENCE AG (DE) | 2006-03-23 | — | — | WO | disclosed |