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 SCHEMBL6686073 | 0.90 | — | — | |
| SCHEMBL89079 | 0.83 | PGK1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL89965 | 0.81 | PGK1 (0.30) | — | |
| SCHEMBL11882136 | 0.75 | LPAR2 (0.35) | — | |
| SCHEMBL377699 | 0.74 | — | — | |
| SCHEMBL11882132 | 0.72 | LAP3 (0.31) | — | |
| SCHEMBL87741 | 0.71 | — | — | |
| SCHEMBL6686077 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL7056618 | 0.69 | PGK1 (0.30) | — | |
| SCHEMBL720356 | 0.69 | PGK1 (0.30) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2084167-B1 | FLUOROALKYL PHOSPHATE COMPOSITIONS | DU PONT (US) | 2013-07-31 | — | — | EP | disclosed |
| US-8129568-B2 | Fluoroalkyl phosphate compositions | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| US-8049040-B2 | Ethylene-tetrafluoroethylene phosphate composition | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-11-01 | — | — | US | disclosed |
| US-20110200815-A1 | FLUOROALKYL PHOSPHATE COMPOSITIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-08-18 | — | — | US | disclosed |
| US-7951975-B2 | Fluoroalkyl phosphate compositions | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-05-31 | — | — | US | disclosed |
| EP-2293876-A1 | ETHYLENE-TETRAFLUOROETHYLENE PHOSPHATE COMPOSITION | E. I. du Pont de Nemours and Company (US) | 2011-03-16 | — | — | EP | disclosed |
| WO-2009143088-A1 | ETHYLENE-TETRAFLUOROETHYLENE PHOSPHATE COMPOSITION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-11-26 | — | — | WO | disclosed |
| US-20090286885-A1 | Ethylene-tetrafluoroethylene phosphate composition | E.I. DU PONT DE NEMUOURS AND COMPANY (US) | 2009-11-19 | — | — | US | disclosed |
| EP-2084167-A1 | FLUOROALKYL PHOSPHATE COMPOSITIONS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-08-05 | — | — | EP | disclosed |
| US-20090087670-A1 | FLUOROALKYL PHOSPHATE COMPOSITIONS | E. I. DU PONT DE NEMOURS AND COMPANY | 2009-04-02 | — | — | US | disclosed |
| WO-2008060352-A1 | FLUOROALKYL PHOSPHATE COMPOSITIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-05-22 | — | — | WO | disclosed |