⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23022848 | 0.87 | TP53 (0.50) | — | |
| SCHEMBL9340248 | 0.83 | CPN1 (0.40) | — | |
| SCHEMBL16862253 | 0.83 | IDO1 (0.40) | — | |
| SCHEMBL8044348 | 0.81 | TP53 (0.56) | — | |
| SCHEMBL21638761 | 0.78 | TP53 (0.42) | — | |
| SCHEMBL12253311 | 0.74 | SHBG (0.34) | — | |
| SCHEMBL13153395 | 0.74 | SLC6A1 (0.35) | — | |
| SCHEMBL4978508 | 0.73 | TP53 (0.47) | — | |
| SCHEMBL30373763 | 0.73 | — | — | |
| SCHEMBL11741707 | 0.72 | — | — |
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-6746989-B1 | HAVE STRONG HERBICIDAL ACTIVITY AND BROAD ACTIVITY SPECTRUM WHEN APPLIED TO SOIL AND ON ABOVE-GROUND PARTS OF PLANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-08 | — | — | US | claimed |