⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6256220 | 0.80 | CYP1A2 (0.35) | — | |
| SCHEMBL18757583 | 0.79 | CXCR4 (0.38) | — | |
| SCHEMBL11684387 | 0.78 | CYP1A2 (0.46) | — | |
| SCHEMBL9526292 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL9292846 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL7093264 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL11460652 | 0.74 | KCNH3 (0.43) | — | |
| SCHEMBL8754688 | 0.72 | — | — | |
| SCHEMBL7036051 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL12932867 | 0.69 | ALDH1A1 (0.67) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050090397-A1 | Herbicides made from substituted aryl ketones | BAYER CROPSCIENCE AG (GB) | 2005-04-28 | — | — | US | disclosed |