Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Ether. 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 | |
|---|---|---|---|---|
| Ether SCHEMBL19892848 | 0.95 | — | — | |
| Ether SCHEMBL11324774 | 0.90 | — | — | |
| Ether SCHEMBL9742788 | 0.90 | — | — | |
| Ether SCHEMBL28236024 | 0.90 | — | — | |
| Ether SCHEMBL28457488 | 0.90 | — | — | |
| Ether SCHEMBL18173787 | 0.90 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL355376 | 0.90 | — | — | |
| Ether SCHEMBL10629462 | 0.90 | — | — | |
| Ether SCHEMBL11648502 | 0.90 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL9809003 | 0.90 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111769282-B | Application method of water-based binder in magnesium-sulfur battery | 上海交通大学 | 2021-10-22 | — | — | CN | disclosed |
| CN-111769282-A | Application method of water-based binder in magnesium-sulfur battery | 上海交通大学 | 2020-10-13 | — | — | CN | disclosed |