⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36928 | 0.82 | — | — | |
| SCHEMBL6017595 | 0.82 | — | — | |
| Water SCHEMBL10180755 | 0.67 | — | — | |
| SCHEMBL4387939 | 0.67 | — | — | |
| SCHEMBL4518155 | 0.67 | — | — | |
| SCHEMBL10723693 | 0.67 | — | — | |
| SCHEMBL17422944 | 0.67 | — | — | |
| SCHEMBL3587196 | 0.67 | — | — | |
| SCHEMBL196107 | 0.67 | — | — | |
| SCHEMBL5200464 | 0.67 | — | — |
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-20120065716-A1 | PORTABLE BODY WARMING DEVICE | GILL BRIJESH S (US) | 2012-03-15 | — | — | US | disclosed |
| EP-2134467-A1 | MIXED METAL OXIDE CATALYSTS AND CATALYTIC CONVERSIONS OF LOWER ALKANE HYDROCARBONS | Ineos USA, LLC (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008123975-A1 | MIXED METAL OXIDE CATALYSTS AND CATALYTIC CONVERSIONS OF LOWER ALKANE HYDROCARBONS | INEOS USA LLC (US) | 2008-10-16 | — | — | WO | disclosed |