⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21586227 | 0.86 | CYP1A2 (0.38) | — | |
| SCHEMBL30122232 | 0.86 | CYP1A2 (0.38) | — | |
| SCHEMBL21925124 | 0.83 | KDM4E (0.37) | — | |
| SCHEMBL17514086 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL30958301 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL24313893 | 0.82 | AGPAT2 (0.32) | — | |
| SCHEMBL21590031 | 0.81 | POLB (0.45) | — | |
| SCHEMBL17432151 | 0.81 | JAK2 (0.34) | — | |
| SCHEMBL21590012 | 0.80 | CYP1A2 (0.36) | — | |
| SCHEMBL17832751 | 0.79 | ALDH1A1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019234158-A1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS | SYNGENTA CROP PROTECTION AG (CH) | 2019-12-12 | — | — | WO | disclosed |