⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10987435 | 0.85 | ALDH1A1 (0.45) | — | |
| SCHEMBL13292089 | 0.84 | CYP4F2 (0.35) | — | |
| SCHEMBL17930061 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL22684863 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL13536980 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL11911424 | 0.74 | — | — | |
| Methoxymethane SCHEMBL2878577 | 0.74 | MAPK1 (0.36) | — | |
| SCHEMBL5158873 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL15963901 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL12547206 | 0.73 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7777066-B2 | Glycero-compound having triple bond and membrane material containing the same | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2010-08-17 | — | — | US | disclosed |
| US-20070105823-A1 | GLYCERO-COMPOUND HAVING TRIPLE BOND AND MEMBRANE MATERIAL CONTAINING THE SAME | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1085136-A1 | INTERIOR AND EXTERIOR CONSTRUCTION MATERIAL WITH SATISFACTORY RESISTANCE TO FOULING | Daikin Industries, Ltd. (JP) | 2001-03-21 | — | — | EP | disclosed |