⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19129248 | 1.00 | — | — | |
| SCHEMBL16053571 | 0.76 | NPC1 (0.34) | — | |
| SCHEMBL16053570 | 0.76 | NPC1 (0.34) | — | |
| SCHEMBL9756876 | 0.73 | HCAR2 (0.47) | — | |
| SCHEMBL8936299 | 0.71 | ALOX5 (0.42) | — | |
| SCHEMBL11209913 | 0.64 | NFE2L2 (0.43) | — | |
| SCHEMBL1205366 | 0.64 | — | — | |
| SCHEMBL134132 | 0.62 | — | — | |
| SCHEMBL15706625 | 0.62 | SLC6A4 (0.43) | — | |
| SCHEMBL38650618 | 0.62 | HSD11B1 (0.58) | — |
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-2020161208-A1 | HERBICIDAL FUSED PYRIDAZINE COMPOUNDS | 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 |