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 SCHEMBL367435 | 0.90 | — | — | |
| Ether SCHEMBL9809003 | 0.90 | — | — | |
| Ether SCHEMBL626639 | 0.90 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL7632694 | 0.90 | — | — | |
| Ether SCHEMBL355376 | 0.90 | — | — | |
| Ether SCHEMBL18173787 | 0.90 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL11648502 | 0.90 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL10501726 | 0.90 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL10629462 | 0.90 | — | — | |
| Ether SCHEMBL11647687 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4110535-A | BACTERICIDE | E. R. SQUIBB & SONS, INC. (US) | 1978-08-29 | — | — | US | disclosed |
| US-4088816-A | BACTERICIDES | E. R. SQUIBB & SONS, INC. (US) | 1978-05-09 | — | — | US | disclosed |
| US-4052554-A | BACTERICIDE | E. R. SQUIBB & SONS, INC. (US) | 1977-10-04 | — | — | US | disclosed |
| US-3996218-A | BACTERICIDES | E. R. SQUIBB & SONS, INC. (US) | 1976-12-07 | — | — | US | disclosed |
| US-3996217-A | BACTERICIDES | E. R. SQUIBB & SONS, INC. (US) | 1976-12-07 | — | — | US | disclosed |