⚠ 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 Methyl Ester SCHEMBL28918827 | 0.97 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28130334 | 0.90 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28190148 | 0.87 | ALDH1A1 (0.67) | — | |
| Acetic Acid Methyl Ester SCHEMBL28413948 | 0.86 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL7122055 | 0.86 | ALDH1A1 (0.91) | — | |
| Acetic Acid Methyl Ester SCHEMBL2414220 | 0.86 | — | — | |
| Hexane SCHEMBL28509306 | 0.84 | ALDH1A1 (0.48) | — | |
| Acetic Acid Methyl Ester SCHEMBL2047402 | 0.82 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL27965098 | 0.82 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL9688974 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113588818-B | Method for measuring content of acanthopanax bark glycoside M in SD rat plasma | 安领生物医药(苏州)有限公司 | 2023-08-29 | — | — | CN | claimed |
| CN-110804017-A | Salt forming of sulfonylurea compound and metformin, preparation method and application | 天津大学 | 2020-02-18 | — | — | CN | disclosed |
| CN-104520273-B | 2-amino-nicotinic acid ester derivant and the biocide with it as effective ingredient | 阿格罗－金正株式会社 | 2016-08-24 | — | — | CN | disclosed |
| US-20070269542-A1 | ENDOPHYTIC STREPTOMYCETES FROM HIGHER PLANTS WITH BIOLOGICAL ACTIVITY | MONTANA STATE UNIVERSITY | 2007-11-22 | — | — | US | disclosed |
| US-7259004-B1 | Endophytic streptomycetes from higher plants with biological activity | MONTANA STATE UNIVERSITY (US) | 2007-08-21 | — | — | US | disclosed |
| US-20070190633-A1 | ENDOPHYTIC STREPTOMYCETES FROM HIGHER PLANTS WITH BIOLOGICAL ACTIVITY | MONTANA STATE UNIVERSITY | 2007-08-16 | — | — | US | disclosed |