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 SCHEMBL27818414 | 0.88 | — | — | |
| Diethanolamine SCHEMBL2325998 | 0.88 | — | — | |
| Diethanolamine SCHEMBL5843119 | 0.88 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.88 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL2324 | 0.88 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.88 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL8930798 | 0.88 | TSHR (0.36) | — | |
| Methylamine SCHEMBL5694047 | 0.87 | — | — | |
| Diethanolamine SCHEMBL9367667 | 0.86 | CA12 (0.39) | — | |
| Diethanolamine SCHEMBL3674597 | 0.85 | TSHR (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1197843-C | Fluorodiol and application thereof | DAINICHSEIKA COLOR & CHEMICALS (JP) | 2005-04-20 | — | — | CN | claimed |
| CN-1197843-C | Fluorodiol and application thereof | DAINICHSEIKA COLOR & CHEMICALS (JP) | 2005-04-20 | — | — | CN | disclosed |
| CN-1319588-A | Fluorodiol and application thereof | DAINICHSEIKA COLOR & CHEMICALS (JP) | 2001-10-31 | — | — | CN | disclosed |
| US-4337195-A | FOR DYEING COTTON AND HAVING GOOD COLORFASTNESS | BAYER AKTIENGESELLSCHAFT (DE) | 1982-06-29 | — | — | US | disclosed |