⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL196736 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL5133455 | 0.76 | — | — | |
| Ethylene Glycol SCHEMBL27514008 | 0.76 | TSHR (0.50) | — | |
| Ethylene Glycol SCHEMBL28290554 | 0.76 | — | — | |
| Glyoxylate SCHEMBL16817729 | 0.74 | — | — | |
| Ethylene Glycol SCHEMBL9313825 | 0.72 | — | — | |
| Ethylene Glycol SCHEMBL4958765 | 0.72 | TSHR (0.46) | — | |
| Ethylene Glycol SCHEMBL3087642 | 0.72 | TSHR (0.46) | — | |
| Ethylene Glycol SCHEMBL28043287 | 0.71 | — | — | |
| Ethylene Glycol SCHEMBL28171136 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5004600-A | Aqueous solution of glyoxal, water soluble polyols, calcium chloride; durability | CLEANLITE AIRE INC. (CA) | 1991-04-02 | — | — | US | disclosed |