⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3596041 | 0.88 | KMT2A (0.33) | — | |
| SCHEMBL2426125 | 0.84 | ADAM17 (0.30) | — | |
| SCHEMBL3176743 | 0.83 | — | — | |
| SCHEMBL1475659 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL6839514 | 0.80 | FPR2 (0.32) | — | |
| SCHEMBL7780291 | 0.79 | CRBN (0.33) | — | |
| SCHEMBL3763896 | 0.78 | BACE1 (0.33) | — | |
| SCHEMBL5458693 | 0.78 | — | — | |
| SCHEMBL1721379 | 0.77 | — | — | |
| SCHEMBL5929376 | 0.77 | L3MBTL1 (0.31) | — |
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 2 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 |
| US-20100009850-A1 | Iodine-phenyl-substituted cyclic cetoenols | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2010-01-14 | — | — | US | disclosed |