⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5950617 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL26885004 | 0.74 | GABRA1 (0.34) | — | |
| SCHEMBL13187452 | 0.72 | — | — | |
| SCHEMBL8230027 | 0.72 | — | — | |
| SCHEMBL12869008 | 0.70 | — | — | |
| SCHEMBL30528010 | 0.70 | — | — | |
| SCHEMBL20273017 | 0.70 | — | — | |
| SCHEMBL29065947 | 0.69 | GABRA1 (0.34) | — | |
| SCHEMBL12086942 | 0.68 | GABRA1 (0.34) | — | |
| SCHEMBL12626454 | 0.68 | CXCR1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11178871-B2 | Herbicidal pyrimidine compounds | BASF SE (DE) | 2021-11-23 | — | — | US | disclosed |
| EP-3490985-B1 | HERBICIDAL PYRIMIDINE COMPOUNDS | BASF SE (DE) | 2020-08-05 | — | — | EP | disclosed |
| US-20190159453-A1 | HERBICIDAL PYRIMIDINE COMPOUNDS | BASF SE (DE) | 2019-05-30 | — | — | US | disclosed |
| WO-2018019555-A1 | HERBICIDAL PYRIMIDINE COMPOUNDS | BASF SE (DE) | 2018-02-01 | — | — | WO | disclosed |