⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12107535 | 0.64 | RIPK1 (0.31) | — | |
| SCHEMBL22779482 | 0.64 | GAA (0.33) | — | |
| SCHEMBL21733004 | 0.60 | — | — | |
| SCHEMBL21610399 | 0.59 | — | — | |
| SCHEMBL20663324 | 0.58 | PRKCZ (0.41) | — | |
| SCHEMBL17341934 | 0.56 | GAA (0.30) | — | |
| SCHEMBL22796282 | 0.55 | ALDH1A1 (0.43) | — | |
| SCHEMBL12954943 | 0.55 | — | — | |
| SCHEMBL22062337 | 0.54 | — | — | |
| SCHEMBL21394579 | 0.53 | PDE4D (0.50) | — |
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-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | disclosed |