⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15870902 | 0.82 | — | — | |
| SCHEMBL2264741 | 0.79 | HPGDS (0.38) | — | |
| SCHEMBL3100807 | 0.78 | — | — | |
| SCHEMBL39636 | 0.78 | — | — | |
| SCHEMBL87629 | 0.78 | — | — | |
| SCHEMBL289070 | 0.78 | — | — | |
| SCHEMBL2851437 | 0.78 | — | — | |
| SCHEMBL8041255 | 0.78 | — | — | |
| Water SCHEMBL1275976 | 0.76 | — | — | |
| SCHEMBL9113300 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1649830-A | Substituted aryl ketones | BAYER CROPSCIENCE AG (DE) | 2005-08-03 | — | — | CN | claimed |
| CN-1649830-A | Substituted aryl ketones | BAYER CROPSCIENCE AG (DE) | 2005-08-03 | — | — | CN | disclosed |
| US-6362337-B1 | ACYLATING A HYDROXYPHENYLURACIL COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-26 | — | — | US | disclosed |