⚠ 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 SCHEMBL23388166 | 1.00 | TSHR (0.47) | — | |
| Ethylene Glycol SCHEMBL9304704 | 0.93 | TSHR (0.41) | — | |
| 1,4-Butanediol SCHEMBL9614932 | 0.89 | SMN1; SMN2 (0.50) | — | |
| Propanol SCHEMBL11239060 | 0.88 | — | — | |
| SCHEMBL9004510 | 0.87 | — | — | |
| Alcohol SCHEMBL9548516 | 0.87 | — | — | |
| SCHEMBL16959 | 0.87 | — | — | |
| SCHEMBL2335211 | 0.87 | TSHR (0.58) | — | |
| SCHEMBL14994799 | 0.87 | TSHR (0.58) | — | |
| 1,3-Propanediol SCHEMBL2066434 | 0.85 | ALDH1A1 (0.47) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030057-B2 | Catalyst for esterification and transesterification and process for producing ester | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2006-04-18 | — | — | US | claimed |
| CN-117083178-A | Laminate and transparent electrode film | 东洋油墨SC控股株式会社 | 2023-11-17 | — | — | CN | disclosed |
| US-20210253746-A1 | NOVEL HYDROXYPROPYL-BETA-CYCLODEXTRIN AND PROCESS FOR THE PRODUCTION THEREOF | ROQUETTE FRERES (FR) | 2021-08-19 | — | — | US | disclosed |
| EP-3593977-B1 | WATER-BASED CERAMIC THREE-DIMENSIONAL LAMINATE MATERIAL AND METHOD FOR USING THE SAME TO MANUFACTURE CERAMIC OBJECTS | FRANZ COLLECTION INC (TW) | 2021-08-11 | — | — | EP | disclosed |
| WO-2020226865-A1 | COATING COMPOSITIONS FOR HYDROPHOBIC FILMS AND ARTICLES HAVING HYDROPHOBIC SURFACES | W.R. GRACE AND CO.- CONN (US) | 2020-11-12 | — | — | WO | disclosed |
| CN-105658777-A | Lubricating composition comprising a detergent | 路博润公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-102666049-A | Foam dispensing apparatus | BASF SE | 2012-09-12 | — | — | CN | disclosed |
| CN-102264677-A | Methods for converting glycerol to propanol | — | 2011-11-30 | — | — | CN | disclosed |
| CN-1980976-B | Copolyetherester compositions containing hydroxyalkanoic acids and shaped articles produced therefrom | DU PONT | 2010-08-11 | — | — | CN | disclosed |
| US-20070207922-A1 | METHOD FOR FINISHING ABSORBENT MATERIALS | BASF AKTIENGESELLSCHAFT (DE) | 2007-09-06 | — | — | US | disclosed |
| US-5612391-A | SURFACE MODIFIED POLYMERS FOR CONTACT LENSES | CIBA GEIGY CORPORATION (US) | 1997-03-18 | — | — | US | disclosed |
| US-5057377-A | Polyurethane and coplymers; oil and water repellent coatings; textiles | CIBA-GEIGY CORPORATION (US) | 1991-10-15 | — | — | US | disclosed |
| US-4073775-A | Powder coating composition | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1978-02-14 | — | — | US | disclosed |