⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL564847 | 0.90 | — | — | |
| Isopropyl Alcohol SCHEMBL28189096 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL8328017 | 0.90 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL28217610 | 0.86 | — | — | |
| Ethylene Glycol SCHEMBL11854547 | 0.86 | TDP1 (0.50) | — | |
| Isobutane SCHEMBL19178233 | 0.84 | — | — | |
| 1,4-Butanediol SCHEMBL973912 | 0.82 | SMN1; SMN2 (0.50) | — | |
| 1,3-Propanediol SCHEMBL10780274 | 0.82 | — | — | |
| Propanol SCHEMBL9284016 | 0.82 | — | — | |
| Propylene Glycol SCHEMBL1318750 | 0.82 | TDP1 (0.83) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523567-B1 | Bronze- or effect-printing ink and process for producing a bronze or effect print | HUBER FA MICHAEL MUENCHEN (DE) | 1996-05-29 | — | — | EP | claimed |
| EP-3126438-A1 | PROCESS FOR THE PREPARATION OF AN AQUEOUS EMULSION OF A MIDBLOCK SULFONATED BLOCK COPOLYMER | Kraton Polymers U.S. LLC (US) | 2017-02-08 | — | — | EP | disclosed |
| EP-3126405-A1 | PROCESS FOR THE PREPARATION OF AN AQUEOUS EMULSION OF A MIDBLOCK SULFONATED BLOCK COPOLYMER | Kraton Polymers U.S. LLC (US) | 2017-02-08 | — | — | EP | disclosed |
| WO-2015157065-A1 | PROCESS FOR THE PREPARATION OF AN AQUEOUS EMULSION OF A MIDBLOCK SULFONATED BLOCK COPOLYMER | KRATON POLYMERS U.S. LLC (US) | 2015-10-15 | — | — | WO | disclosed |
| WO-2015153750-A1 | PROCESS FOR THE PREPARATION OF AN AQUEOUS EMULSION OF A MIDBLOCK SULFONATED BLOCK COPOLYMER | KRATON POLYMERS U.S. LLC (US) | 2015-10-08 | — | — | WO | disclosed |
| CN-1272398-C | Polymeric adhesive for exposed wall thermal-insulation | UNIV CHANGCHUN SCIENCE & TECH (CN) | 2006-08-30 | — | — | CN | disclosed |
| CN-1640977-A | Polymeric adhesive for exposed wall thermal-insulation | CHANGCHUN TECHNOLOGY UNIV (CN) | 2005-07-20 | — | — | CN | disclosed |
| US-6207072-B1 | COMPRISING 35-65 WT. % OF A POLYETHYLENE GLYCOL HAVING AN AVERAGE MOLAR MASS OF BETWEEN 285 AND 420 G/MOL, 35-65 WT. % OF ETHYLENE GLYCOL, AND OPTIONALLY, AT LEAST ONE STABILIZER | BAYER AG (DE) | 2001-03-27 | — | — | US | disclosed |