⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27927302 | 0.79 | — | — | |
| Acetic Acid SCHEMBL6749754 | 0.68 | FFAR3 (0.37) | — | |
| SCHEMBL1279166 | 0.68 | — | — | |
| SCHEMBL9064612 | 0.67 | — | — | |
| SCHEMBL4827017 | 0.65 | PYGM (0.33) | — | |
| SCHEMBL44788 | 0.63 | MAOA (0.32) | — | |
| Maleic Acid SCHEMBL27995249 | 0.63 | TSHR (0.41) | — | |
| Propionic Acid SCHEMBL7712839 | 0.63 | FFAR3 (0.46) | — | |
| SCHEMBL45497 | 0.63 | PYGM (0.33) | — | |
| Benzene SCHEMBL27953403 | 0.62 | — | — |
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-108350345-A | The coolant concentrate of silicate-containing | 罗韦控股有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-103781813-B | The epoxy resin adduct mixed | 蓝立方知识产权有限责任公司 | 2016-09-14 | — | — | CN | disclosed |