⚠ 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 | |
|---|---|---|---|---|
| Hexylene Glycol SCHEMBL335683 | 0.76 | — | — | |
| Hexylene Glycol SCHEMBL19379 | 0.76 | — | — | |
| SCHEMBL28964362 | 0.76 | — | — | |
| SCHEMBL16074731 | 0.76 | MAPK1 (0.39) | — | |
| Hexylene Glycol SCHEMBL6869929 | 0.76 | MAPK1 (0.39) | — | |
| Hexylene Glycol SCHEMBL123432 | 0.76 | — | — | |
| SCHEMBL26413256 | 0.76 | — | — | |
| SCHEMBL8648090 | 0.74 | — | — | |
| SCHEMBL15821054 | 0.73 | TSHR (0.37) | — | |
| Hexylene Glycol SCHEMBL11802241 | 0.73 | — | — |
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-100464463-C | Negative electrode active material, nonaqueous electrolyte battery, battery pack and vehicle | TOSHIBA KK (JP) | 2009-02-25 | — | — | CN | disclosed |
| CN-1893166-A | Negative electrode active material, nonaqueous electrolyte battery, battery pack and vehicle | TOKYO SHIBAURA ELECTRIC CO (JP) | 2007-01-10 | — | — | CN | disclosed |
| CN-1144616-C | Double metal cyanide catalysts for preparing polyether polyols | — | 2004-04-07 | — | — | CN | disclosed |
| CN-1387460-A | Double metal cyanide catalysts for preparing polyether polyols | BAYER AG (DE) | 2002-12-25 | — | — | CN | disclosed |
| EP-0648761-A2 | Quinazolinyl yellow coupler for photographic recording material | Agfa-Gevaert AG (DE) | 1995-04-19 | — | — | EP | disclosed |