⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1412518 | 0.85 | — | — | |
| SCHEMBL28578844 | 0.74 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL21081052 | 0.74 | — | — | |
| SCHEMBL3380599 | 0.71 | — | — | |
| SCHEMBL4785537 | 0.71 | — | — | |
| SCHEMBL783610 | 0.71 | — | — | |
| SCHEMBL19171428 | 0.70 | — | — | |
| SCHEMBL3158833 | 0.69 | MAOB (0.40) | — | |
| SCHEMBL12998976 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL1412626 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018019554-A1 | HERBICIDAL PYRIMIDINE COMPOUNDS | BASF SE (DE) | 2018-02-01 | — | — | WO | disclosed |
| WO-2018019755-A1 | HERBICIDAL PYRIDINE COMPOUNDS | BASF SE (DE) | 2018-02-01 | — | — | WO | disclosed |