⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28241435 | 0.78 | CA1 (0.47) | — | |
| SCHEMBL26864 | 0.78 | — | — | |
| SCHEMBL28300896 | 0.75 | — | — | |
| Ethane SCHEMBL4974014 | 0.75 | CA1 (0.44) | — | |
| SCHEMBL28257688 | 0.75 | — | — | |
| Sulfamide SCHEMBL25410596 | 0.75 | CA1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL10876127 | 0.75 | — | — | |
| SCHEMBL30656011 | 0.75 | CA1 (0.44) | — | |
| SCHEMBL23067553 | 0.75 | CA1 (0.32) | — | |
| SCHEMBL240329 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113412256-B | Herbicidal compounds | 先正达农作物保护股份公司 | 2024-01-19 | — | — | CN | disclosed |
| CN-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-115996912-A | Iminothiolanone inhibitors of ENPP1 | 沃拉斯查疗法公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-113412256-A | Herbicidal compounds | 先正达农作物保护股份公司 | 2021-09-17 | — | — | CN | disclosed |