⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL2559760 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL2276585 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL28967950 | 0.80 | TSHR (0.46) | — | |
| Ethylene Glycol SCHEMBL620463 | 0.80 | TSHR (0.46) | — | |
| Propanol SCHEMBL1333524 | 0.77 | — | — | |
| Monoethanolamine SCHEMBL9468212 | 0.77 | — | — | |
| Ethylene Glycol SCHEMBL8013339 | 0.74 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL2635018 | 0.74 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL49878 | 0.74 | — | — | |
| Ethylene Glycol SCHEMBL3 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108138089-A | The metallic compound of calixarenes, the detergent composition comprising it and its purposes in lubricant compositions | 埃尼股份公司 | 2018-06-08 | — | — | CN | disclosed |