⚠ 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 SCHEMBL31320733 | 0.89 | — | — | |
| Acetone SCHEMBL11782633 | 0.81 | — | — | |
| Acetone SCHEMBL593191 | 0.81 | LMNA (0.43) | — | |
| SCHEMBL28095 | 0.78 | — | — | |
| Acetone SCHEMBL48978 | 0.77 | TSHR (0.50) | — | |
| Acetone SCHEMBL2748125 | 0.74 | TSHR (0.47) | — | |
| Acetone SCHEMBL29032239 | 0.74 | TSHR (0.47) | — | |
| Malonic Acid SCHEMBL28688154 | 0.74 | LDHA (0.53) | — | |
| Acetone SCHEMBL8840751 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL6935688 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112194691-B | Method for preparing catalpol and its derivative based on radix rehmanniae Preparata and application | 河北仁心药业有限公司 | 2023-12-08 | — | — | CN | claimed |
| CN-112194691-B | Method for preparing catalpol and its derivative based on radix rehmanniae Preparata and application | 河北仁心药业有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-112194691-A | Method for preparing catalpol and catalpol derivative based on radix rehmanniae preparata and application of catalpol derivative | 河北仁心药业有限公司 | 2021-01-08 | — | — | CN | disclosed |
| CN-105820200-B | A kind of catalpol derivatives and its preparation method and application | 安徽省逸欣铭医药科技有限公司 | 2018-05-08 | — | — | CN | disclosed |
| CN-105820200-A | Catalpol derivative as well as preparation method and application thereof | 安徽省逸欣铭医药科技有限公司 | 2016-08-03 | — | — | CN | disclosed |