⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1023871 | 0.97 | — | — | |
| SCHEMBL6833025 | 0.97 | — | — | |
| SCHEMBL28910 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL15352920 | 0.94 | — | — | |
| Benzene SCHEMBL9028744 | 0.92 | HCAR2 (0.46) | — | |
| SCHEMBL2289330 | 0.89 | HCAR2 (0.44) | — | |
| Propionic Acid SCHEMBL28002953 | 0.85 | FFAR3 (0.48) | — | |
| Methacrylic Acid SCHEMBL28015931 | 0.83 | HCAR2 (0.39) | — | |
| Methacrylic Acid SCHEMBL21836019 | 0.83 | HCAR2 (0.39) | — | |
| SCHEMBL29143713 | 0.79 | HCAR2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104245689-B | Terazololine-one compound and its purposes as insecticide | 住友化学株式会社 | 2017-06-06 | — | — | CN | disclosed |
| CN-104245689-A | Tetrazolinone compounds and its use as pesticides | SUMITOMO CHEMICAL CO | 2014-12-24 | — | — | CN | disclosed |