Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL23363665 | 0.95 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL8930798 | 0.95 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL5307430 | 0.95 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL2324 | 0.95 | — | — | |
| Diethanolamine SCHEMBL5843119 | 0.95 | — | — | |
| Diethanolamine SCHEMBL1886510 | 0.91 | — | — | |
| Diethanolamine SCHEMBL2410503 | 0.91 | — | — | |
| Diethanolamine SCHEMBL11150361 | 0.91 | SMN1; SMN2 (0.34) | — | |
| Diethanolamine SCHEMBL7893791 | 0.91 | — | — | |
| SCHEMBL10892467 | 0.91 | SMN1; SMN2 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100560678-C | A kind of phosphoric acid salt water-repellent oil-repellent agent of Fluorine containing olefine base and preparation and application | SHANDONG DONGYUE POLYMER MAT (CN) | 2009-11-18 | — | — | CN | disclosed |
| CN-1952035-A | Phosphate water, oil-repellent containing fluoroolefin and its preparation method and uses | SHANDONG DONGYUE POLYMER MAT (CN) | 2007-04-25 | — | — | CN | disclosed |
| US-5231230-A | Metatungstate and metal oxide catalysts for condensation of ethyleneddiamine with ethanolamine | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-07-27 | — | — | US | disclosed |
| US-5225598-A | SELECTIVE PRODUCTION OF LINEAR PENTAETHYLENEHEXAMINE AND HYDROXYETHYLDIETHYLENETRIAMINE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-07-06 | — | — | US | disclosed |
| US-5225600-A | Reaction of alkanolamine with alkyleneamine or another alkanol amine | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-07-06 | — | — | US | disclosed |
| US-5220071-A | Continuous process of condensing ethylenediamine and a N,N- or N,N'-bis(2-hydroxyethyl)ethylenediamine using a catalyst of a metatungstate and a Group 4 metal oxide | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-06-15 | — | — | US | disclosed |
| US-5214213-A | Condensing ethylenediamine and diethanolamine using a titanium dioxide-metatungstate catalyst | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-05-25 | — | — | US | disclosed |
| US-5214215-A | Condensation catalyst selected from group IVB metal oxide, group VIB metal-containing substance and a promoted condensation catalyst | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-05-25 | — | — | US | disclosed |
| US-5210306-A | Making polyalkylene polyamines by catalytic condensation of alkanolamines or alkylene glycols with alkyleneamines or more alkanolamines using metatungstate catalysts with phosphorus-free promoters | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-05-11 | — | — | US | disclosed |
| US-5202492-A | Producing polyalkylene polyamines | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-04-13 | — | — | US | disclosed |
| US-5166415-A | Catalytic condensation of ethylenediamine and ethanolamine | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-11-24 | — | — | US | disclosed |
| US-5101074-A | Acid catalysts for making alkyleneamines | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-03-31 | — | — | US | disclosed |