⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31376902 | 0.91 | — | — | |
| SCHEMBL27076 | 0.91 | — | — | |
| SCHEMBL27733296 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL28903344 | 0.83 | — | — | |
| SCHEMBL28264945 | 0.83 | — | — | |
| Hydrogen Sulfide SCHEMBL9496497 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL7960184 | 0.83 | CA1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL2222834 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL10598713 | 0.83 | — | — | |
| SCHEMBL28337072 | 0.83 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1031974-C | Stabilized thiocarbonate solutions and use thereof for controlling soil pests | UNION OIL CO (US) | 1996-06-12 | — | — | CN | disclosed |
| CN-1055463-A | Pelletized thiocarbonates salt (ester) | UNION OIL CO (US) | 1991-10-23 | — | — | CN | disclosed |
| CN-1042042-A | The purposes of stable thio-carbonate solution and control soil disease pest and weed thereof | UNION OIL CO (US) | 1990-05-16 | — | — | CN | disclosed |