⚠ 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 | |
|---|---|---|---|---|
| Tridecan-1-Ol SCHEMBL3868841 | 1.00 | TSHR (0.87) | — | |
| Cetostearyl Alcohol SCHEMBL26606125 | 1.00 | TSHR (0.87) | — | |
| Cetyl Alcohol SCHEMBL28663150 | 1.00 | TSHR (0.87) | — | |
| Dodecanol SCHEMBL11588391 | 1.00 | TSHR (0.87) | — | |
| Cetyl Alcohol SCHEMBL10581574 | 1.00 | TSHR (0.87) | — | |
| 1-Heptanol SCHEMBL29099911 | 1.00 | TSHR (0.87) | — | |
| Octanol SCHEMBL11434883 | 1.00 | TSHR (0.87) | — | |
| Ethylene SCHEMBL8094901 | 1.00 | TSHR (0.87) | — | |
| Dodecanol SCHEMBL1868333 | 1.00 | TSHR (0.87) | — | |
| Tridecan-1-Ol SCHEMBL3441423 | 0.97 | TSHR (0.81) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210277338-A1 | CONCENTRATED HIGH PERFORMANCE MULTIPURPOSE CLEANING COMPOSITIONS IN UNIT DOSE PACKETS OR POUCHES | Korex Canada Company (CA) | 2021-09-09 | — | — | US | disclosed |
| CN-107108413-A | Apparatus for producing glycol and process for producing the same | LG化学株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-104411675-A | Vinyl esters of isononanoic acid starting from 2-ethyl hexanol, methods for the production thereof and use thereof | OXEA GMBH | 2015-03-11 | — | — | CN | disclosed |
| CN-1798825-A | Water/hydrocarbon emulsion fuel and its preparation and use | TOTAL FRANCE (FR) | 2006-07-05 | — | — | CN | disclosed |
| US-4514526-A | Storage-stable tris(hydroxyalkyl)isocyanurate polyol dispersions, process for their preparation and their utilization | BASF AKTIENGESELLSCHAFT (DE) | 1985-04-30 | — | — | US | disclosed |