⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1416064 | 0.81 | CA12 (0.32) | — | |
| SCHEMBL9514436 | 0.79 | CA12 (0.43) | — | |
| SCHEMBL9512523 | 0.76 | CA12 (0.47) | — | |
| SCHEMBL515159 | 0.73 | MEN1 (0.45) | — | |
| SCHEMBL1416144 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL5590095 | 0.72 | — | — | |
| SCHEMBL23659151 | 0.71 | MEN1 (0.41) | — | |
| SCHEMBL1416133 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL8218205 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL5557184 | 0.69 | CCR6 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6979460-B1 | Vinyl ether lipids with cleavable hydrophlic headgroups | PURDUE RESEARCH FOUNDATION (US) | 2005-12-27 | — | — | US | claimed |
| EP-1202714-A1 | VINYL ETHER LIPIDS WITH CLEAVABLE HYDROPHILIC HEADGROUPS | Purdue Research Foundation (US) | 2002-05-08 | — | — | EP | claimed |
| WO-2001005375-A1 | VINYL ETHER LIPIDS WITH CLEAVABLE HYDROPHILIC HEADGROUPS | PURDUE RESEARCH FOUNDATION (US) | 2001-01-25 | — | — | WO | claimed |
| US-6979460-B1 | Vinyl ether lipids with cleavable hydrophlic headgroups | PURDUE RESEARCH FOUNDATION (US) | 2005-12-27 | — | — | US | disclosed |
| EP-1202714-A1 | VINYL ETHER LIPIDS WITH CLEAVABLE HYDROPHILIC HEADGROUPS | Purdue Research Foundation (US) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001005375-A1 | VINYL ETHER LIPIDS WITH CLEAVABLE HYDROPHILIC HEADGROUPS | PURDUE RESEARCH FOUNDATION (US) | 2001-01-25 | — | — | WO | disclosed |