⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11027322 | 0.82 | — | — | |
| SCHEMBL20629571 | 0.70 | — | — | |
| SCHEMBL21927481 | 0.67 | — | — | |
| SCHEMBL21298022 | 0.67 | — | — | |
| SCHEMBL12508939 | 0.67 | — | — | |
| SCHEMBL12447688 | 0.65 | — | — | |
| SCHEMBL16490028 | 0.62 | — | — | |
| SCHEMBL22016102 | 0.61 | — | — | |
| SCHEMBL23353741 | 0.60 | NPSR1 (0.31) | — | |
| SCHEMBL24466449 | 0.60 | PDXK (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220386614-A1 | OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME | NIHON NOHYAKU CO., LTD. (JP) | 2022-12-08 | — | — | US | disclosed |