⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45556 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28402952 | 0.93 | — | — | |
| Ethylene SCHEMBL6344825 | 0.93 | — | — | |
| SCHEMBL28833144 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28210573 | 0.93 | — | — | |
| Acetic Acid SCHEMBL27407331 | 0.88 | FFAR3 (0.41) | — | |
| Acrylic Acid SCHEMBL1809604 | 0.88 | LMNA (0.59) | — | |
| Acrylic Acid SCHEMBL11288299 | 0.85 | LMNA (0.56) | — | |
| Acrylamide SCHEMBL30531923 | 0.81 | ALDH1A1 (0.55) | — | |
| Acrylonitrile SCHEMBL28238393 | 0.81 | ALDH1A1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106893035-A | A kind of hydrophobic association modified starch tackifier and preparation method thereof | 中国石油化工股份有限公司 | 2017-06-27 | — | — | CN | claimed |
| CN-101193891-A | 2-thioethenyl substituted carbapenem derivatives | MEIJI SEIKA KAISHA (JP) | 2008-06-04 | — | — | CN | disclosed |