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 SCHEMBL359260 | 1.00 | — | — | |
| Diethanolamine SCHEMBL27754221 | 0.96 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.95 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL2324 | 0.95 | — | — | |
| Diethanolamine SCHEMBL5843119 | 0.95 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.95 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL8930798 | 0.95 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL19439562 | 0.91 | — | — | |
| Diethanolamine SCHEMBL922879 | 0.91 | — | — | |
| Diethanolamine SCHEMBL4338732 | 0.91 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119452194-A | Rubber-metal laminated gasket material | NOK株式会社 | 2025-02-14 | — | — | CN | disclosed |