⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121088 | 1.00 | — | — | |
| Cyclohexane SCHEMBL961578 | 0.97 | MAPT (0.41) | — | |
| SCHEMBL11683805 | 0.92 | KDM1A (0.45) | — | |
| SCHEMBL80431 | 0.92 | KDM1A (0.45) | — | |
| Methane SCHEMBL10447590 | 0.90 | KDM1A (0.43) | — | |
| Methane SCHEMBL7149466 | 0.90 | KDM1A (0.43) | — | |
| SCHEMBL1556348 | 0.90 | KDM1A (0.43) | — | |
| SCHEMBL1234810 | 0.90 | MAPT (0.42) | — | |
| SCHEMBL10934615 | 0.90 | — | — | |
| SCHEMBL402652 | 0.90 | — | — |
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-6828276-B2 | Benzoylcyclohexanedione compound | AVENTIS CROPSCIENCE GMBH (DE) | 2004-12-07 | — | — | US | disclosed |
| US-20020165095-A1 | Herbicidally active benzoylcyclohexanediones | BAYER CROPSCIENCE GMBH (DE) | 2002-11-07 | — | — | US | disclosed |