⚠ 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 SCHEMBL6570599 | 0.84 | TSHR (0.56) | — | |
| Ethylene Glycol SCHEMBL15995529 | 0.84 | TSHR (0.56) | — | |
| Ethylene Glycol SCHEMBL8080969 | 0.84 | TSHR (0.56) | — | |
| Ethylene Glycol SCHEMBL8082558 | 0.84 | TSHR (0.56) | — | |
| Ethylene Glycol SCHEMBL22007 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL9616343 | 0.84 | TSHR (0.56) | — | |
| Ethylene Glycol SCHEMBL2229955 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL27305226 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL9771291 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL27740302 | 0.80 | TSHR (0.50) | — |
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-110015974-A | A kind of preparation method of cyclododecanone oxime | 万华化学集团股份有限公司 | 2019-07-16 | — | — | CN | disclosed |
| US-5567748-A | A REACTION PRODUCT OF HYDROPHILIC POLYOXYALKYLENE AMINES AND DIGLYCIDYL ETHERS OF A POLYALKYLENE GLYCOL; CURING AGENTS, EMULSIFIERS, DISPERSANTS; WATERBASE PAINTS | THE DOW CHEMICAL COMPANY (US) | 1996-10-22 | — | — | US | disclosed |