Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 SCHEMBL48456 | 1.00 | — | — | |
| Ether SCHEMBL11670969 | 1.00 | — | — | |
| Ether SCHEMBL11670962 | 1.00 | ALDH1A1 (0.44) | — | |
| Ether SCHEMBL10434481 | 0.95 | — | — | |
| Ether SCHEMBL6 | 0.94 | — | — | |
| Ether SCHEMBL21406 | 0.94 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248674 | 0.94 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.94 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.94 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL2884734 | 0.89 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945496-B1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | XEROX CORP (US) | 2003-11-12 | — | — | EP | claimed |
| EP-0945496-A1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | Xerox Corporation (US) | 1999-09-29 | — | — | EP | claimed |
| US-5958121-A | SET OF INKS COMPRISING FIRST AQUEOUS INK CONSISTING OF ANIONIC COLORANT, SECOND AQUEOUS INK CONTAINING AMMONIUM SALT, WHEREIN FIRST COLORANT IS IMMOBILIZED ON SUBSTRATE BY INTERACTION WITH AMMONIUM SALT, REDUCING INTERCOLOR BLEED | XEROX CORPORATION (US) | 1999-09-28 | — | — | US | claimed |
| EP-0945496-B1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | XEROX CORP (US) | 2003-11-12 | — | — | EP | disclosed |
| EP-0945496-A1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | Xerox Corporation (US) | 1999-09-29 | — | — | EP | disclosed |
| US-5958121-A | SET OF INKS COMPRISING FIRST AQUEOUS INK CONSISTING OF ANIONIC COLORANT, SECOND AQUEOUS INK CONTAINING AMMONIUM SALT, WHEREIN FIRST COLORANT IS IMMOBILIZED ON SUBSTRATE BY INTERACTION WITH AMMONIUM SALT, REDUCING INTERCOLOR BLEED | XEROX CORPORATION (US) | 1999-09-28 | — | — | US | disclosed |