⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1747767 | 0.78 | SLC6A2 (0.34) | — | |
| SCHEMBL1747774 | 0.65 | — | — | |
| SCHEMBL20302015 | 0.65 | — | — | |
| SCHEMBL20301742 | 0.58 | — | — | |
| SCHEMBL11208975 | 0.51 | — | — | |
| Carbon Dioxide SCHEMBL6573044 | 0.46 | — | — | |
| SCHEMBL20968 | 0.42 | — | — | |
| Carbon Dioxide SCHEMBL7713031 | 0.42 | — | — | |
| Carbon Dioxide SCHEMBL241039 | 0.42 | — | — | |
| Carbon Dioxide SCHEMBL916 | 0.42 | — | — |
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-106831647-B | A kind of thiadiazoles amides compound and application thereof | 沈阳中化农药化工研发有限公司 | 2019-09-27 | — | — | CN | disclosed |
| WO-2018116073-A1 | 1, 2, 3-THIADIAZOLE COMPOUNDS AND THEIR USE AS CROP PROTECTING AGENT | PI INDUSTRIES LTD. (IN) | 2018-06-28 | — | — | WO | disclosed |
| CN-106831647-A | A kind of thiadiazoles amides compound and application thereof | 沈阳中化农药化工研发有限公司 | 2017-06-13 | — | — | CN | disclosed |