⚠ 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 SCHEMBL3642999 | 0.85 | — | — | |
| Ether SCHEMBL20919844 | 0.85 | ALDH1A1 (0.33) | — | |
| Ether SCHEMBL8501046 | 0.85 | ALDH1A1 (0.33) | — | |
| Ether SCHEMBL27856979 | 0.82 | — | — | |
| Ether SCHEMBL9248674 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL6 | 0.82 | — | — | |
| Ether SCHEMBL8160191 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL21406 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL10719709 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105482388-B | A kind of polyester elastomer composition | 上海益弹新材料有限公司 | 2017-11-17 | — | — | CN | claimed |
| EP-3373933-A1 | BISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2018-09-19 | — | — | EP | disclosed |
| CN-105482388-B | A kind of polyester elastomer composition | 上海益弹新材料有限公司 | 2017-11-17 | — | — | CN | disclosed |
| WO-2017083219-A1 | BISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-05-18 | — | — | WO | disclosed |
| US-5445874-A | An extruded film of butylene terephthalate units and a polyester glycol; woven or non-woven fabrics | FABRITE SCIENTIFIC CORP. (US) | 1995-08-29 | — | — | US | disclosed |