⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL456857 | 0.91 | — | — | |
| SCHEMBL6515346 | 0.89 | — | — | |
| SCHEMBL3242892 | 0.89 | — | — | |
| SCHEMBL19097706 | 0.80 | — | — | |
| SCHEMBL21879035 | 0.80 | — | — | |
| SCHEMBL452895 | 0.80 | — | — | |
| SCHEMBL4525511 | 0.80 | — | — | |
| SCHEMBL3246573 | 0.80 | — | — | |
| SCHEMBL30019112 | 0.80 | — | — | |
| SCHEMBL454822 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008147840-A1 | THERMAL ENERGY STORAGE SYSTEMS AND METHODS | BELL INDEPENDENT POWER CORP. (US) | 2008-12-04 | — | — | WO | claimed |
| EP-2614547-A2 | ELECTROCHEMICAL ENERGY STORAGE SYSTEMS AND METHODS | California Institute of Technology (US) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012034042-A2 | ELECTROCHEMICAL ENERGY STORAGE SYSTEMS AND METHODS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-03-15 | — | — | WO | disclosed |