⚠ 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 SCHEMBL182661 | 0.87 | CA2 (0.44) | — | |
| Ethylene Glycol SCHEMBL2167120 | 0.87 | CA2 (0.44) | — | |
| Ethylene Glycol SCHEMBL1560560 | 0.87 | CA2 (0.44) | — | |
| Ethylene Glycol SCHEMBL27488416 | 0.87 | — | — | |
| Ethylene Glycol SCHEMBL1559508 | 0.87 | CA2 (0.44) | — | |
| Ethylene Glycol SCHEMBL2178632 | 0.87 | CA2 (0.44) | — | |
| Dimethyl Sulfone SCHEMBL8778726 | 0.84 | — | — | |
| Dimethyl Sulfone SCHEMBL7886489 | 0.82 | — | — | |
| Dimethyl Sulfone SCHEMBL27847716 | 0.81 | — | — | |
| Ethylene Glycol SCHEMBL27548536 | 0.78 | TSHR (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6660899-B2 | Separation of hydrocarbon compounds via extractive distillation | GAYLORD CHEMICAL CORPORATION | 2003-12-09 | — | — | US | disclosed |
| US-20030045766-A1 | Sulfone-sulfoxide compositions for enhanced aromatic extraction | GAYLORD CHEMICAL COMPANY, L.L.C. | 2003-03-06 | — | — | US | disclosed |
| WO-2002064530-A1 | SULFONE-SULFOXIDE COMPOSITIONS FOR ENHANCE AROMATIC EXTRACTION | GAYLORD CHEMICAL CORPORATION (US) | 2002-08-22 | — | — | WO | disclosed |