⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21034097 | 0.76 | — | — | |
| SCHEMBL19134348 | 0.76 | — | — | |
| SCHEMBL21020374 | 0.74 | — | — | |
| SCHEMBL21034353 | 0.73 | — | — | |
| SCHEMBL9080136 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL25213349 | 0.67 | — | — | |
| SCHEMBL28183997 | 0.66 | ALDH1A1 (0.43) | — | |
| SCHEMBL16694847 | 0.64 | — | — | |
| SCHEMBL11334103 | 0.64 | — | — | |
| SCHEMBL15149 | 0.64 | — | — |
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-11178871-B2 | Herbicidal pyrimidine compounds | BASF SE (DE) | 2021-11-23 | — | — | US | disclosed |
| US-20190159453-A1 | HERBICIDAL PYRIMIDINE COMPOUNDS | BASF SE (DE) | 2019-05-30 | — | — | US | disclosed |