⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL921703 | 0.79 | — | — | |
| Glycerin SCHEMBL8208440 | 0.69 | LMNA (0.53) | — | |
| Propylene Glycol SCHEMBL17289517 | 0.67 | TDP1 (0.56) | — | |
| SCHEMBL8208442 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL6031567 | 0.64 | — | — | |
| SCHEMBL8523778 | 0.62 | — | — | |
| SCHEMBL268640 | 0.62 | — | — | |
| Glycerin SCHEMBL11895807 | 0.62 | LMNA (0.43) | — | |
| SCHEMBL6031370 | 0.62 | — | — | |
| Ethylene Glycol SCHEMBL1165137 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10862163-B2 | Organosilicon-based electrolytes for long-life lithium primary batteries | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) | 2020-12-08 | — | — | US | disclosed |
| US-20170207485-A1 | Organosilicon-based electrolytes for long-life lithium primary batteries | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC ("NTESS") | 2017-07-20 | — | — | US | disclosed |