⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22322758 | 0.72 | KMT2A (0.38) | — | |
| SCHEMBL15127739 | 0.68 | — | — | |
| SCHEMBL22322873 | 0.63 | TDP1 (0.41) | — | |
| SCHEMBL8174055 | 0.58 | — | — | |
| SCHEMBL31248906 | 0.58 | KMT2A (0.35) | — | |
| SCHEMBL14941507 | 0.58 | NNMT (0.33) | — | |
| SCHEMBL2767477 | 0.58 | KMT2A (0.35) | — | |
| SCHEMBL12456743 | 0.58 | UHRF1 (0.34) | — | |
| SCHEMBL2490312 | 0.58 | TDP1 (0.44) | — | |
| SCHEMBL11820367 | 0.57 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2020161138-A1 | PYRIDAZINIUM COMPOUNDS FOR USE IN CONTROLLING UNWANTED PLANT GROWTH | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-13 | — | — | WO | disclosed |
| WO-2020161208-A1 | HERBICIDAL FUSED PYRIDAZINE COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-13 | — | — | WO | disclosed |