⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10351560 | 0.86 | CA1 (0.40) | — | |
| SCHEMBL10351561 | 0.86 | CA1 (0.40) | — | |
| SCHEMBL919035 | 0.86 | — | — | |
| Allyl Alcohol SCHEMBL48547 | 0.83 | TSHR (0.60) | — | |
| Ethylene Glycol SCHEMBL29606 | 0.77 | CA1 (0.42) | — | |
| Hydrogen Peroxide SCHEMBL11812678 | 0.76 | — | — | |
| SCHEMBL15584 | 0.76 | — | — | |
| SCHEMBL15068452 | 0.76 | CA1 (0.46) | — | |
| Cyclohexane SCHEMBL1525976 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL27616135 | 0.76 | CA1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060145120-A1 | Cooling liquid composition for fuel cell | SHISHIAI-KABUSHIKIGAISHA (JP) | 2006-07-06 | — | — | US | claimed |
| EP-1653544-A1 | COOLING LIQUID COMPOSITION FOR FUEL CELL | Shishiai-Kabushikigaisha (JP) | 2006-05-03 | — | — | EP | claimed |
| EP-0984031-B1 | MOLDING MATERIAL, INNER MATERIAL USING THE SAME, AND METHOD FOR PRODUCING THE SAME | NAGOYA OILCHEMICAL (JP) | 2005-12-28 | — | — | EP | disclosed |
| EP-0984031-A1 | MOLDING MATERIAL, INNER MATERIAL USING THE SAME, AND METHOD FOR PRODUCING THE SAME | Nagoya Oilchemical Co., Ltd. (JP) | 2000-03-08 | — | — | EP | disclosed |