⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20320569 | 0.87 | MAPK1 (0.35) | — | |
| SCHEMBL2258747 | 0.77 | CA2 (0.33) | — | |
| SCHEMBL21170726 | 0.76 | — | — | |
| SCHEMBL3286549 | 0.74 | — | — | |
| SCHEMBL9862954 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL20320474 | 0.71 | NOS3 (0.33) | — | |
| SCHEMBL26626326 | 0.70 | L3MBTL1 (0.32) | — | |
| SCHEMBL8450139 | 0.70 | — | — | |
| SCHEMBL22367369 | 0.70 | — | — | |
| SCHEMBL22367354 | 0.68 | AGBL2 (0.36) | — |
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-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 |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | disclosed |