⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL317311 | 1.00 | — | — | |
| SCHEMBL6932380 | 1.00 | ALDH1A1 (0.80) | — | |
| SCHEMBL9579141 | 0.95 | — | — | |
| SCHEMBL9074220 | 0.95 | — | — | |
| SCHEMBL2845030 | 0.95 | ALDH1A1 (0.89) | — | |
| SCHEMBL2848269 | 0.95 | ALDH1A1 (0.89) | — | |
| SCHEMBL10713952 | 0.95 | ALDH1A1 (0.89) | — | |
| SCHEMBL87670 | 0.95 | ALDH1A1 (0.89) | — | |
| SCHEMBL4788259 | 0.95 | ALDH1A1 (0.89) | — | |
| Tetrahydrofuran SCHEMBL11026489 | 0.95 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1692195-A4 | POLYETHYLENE FILMS | UNIVATION TECH LLC (US) | 2007-05-23 | — | — | EP | disclosed |
| EP-1692195-A1 | POLYETHYLENE FILMS | Univation Technologies, LLC (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005061561-A1 | POLYETHYLENE FILMS | UNIVATION TECHNOLOGIES, LLC (US) | 2005-07-07 | — | — | WO | disclosed |