⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28743669 | 0.87 | — | — | |
| SCHEMBL10417668 | 0.84 | TSHR (0.41) | — | |
| Acetone SCHEMBL7573994 | 0.80 | — | — | |
| SCHEMBL207868 | 0.78 | — | — | |
| SCHEMBL437859 | 0.78 | — | — | |
| Carbamic Acid SCHEMBL10346607 | 0.78 | — | — | |
| Oxalic Acid SCHEMBL11752796 | 0.78 | LDHA (0.40) | — | |
| Acetone SCHEMBL1683192 | 0.75 | — | — | |
| Acetone SCHEMBL27433648 | 0.75 | — | — | |
| Acetone SCHEMBL27536413 | 0.75 | — | — |
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-112684070-B | Method for measuring semi-volatile organic compounds in solid waste | 山东微谱检测技术有限公司 | 2024-05-24 | — | — | CN | claimed |
| CN-112684070-A | Method for measuring semi-volatile organic compounds in solid waste | 山东微谱检测技术有限公司 | 2021-04-20 | — | — | CN | claimed |
| CN-112684070-B | Method for measuring semi-volatile organic compounds in solid waste | 山东微谱检测技术有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-112684070-A | Method for measuring semi-volatile organic compounds in solid waste | 山东微谱检测技术有限公司 | 2021-04-20 | — | — | CN | disclosed |