⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17652513 | 0.81 | — | — | |
| SCHEMBL28066075 | 0.76 | TDP1 (0.31) | — | |
| SCHEMBL28066073 | 0.66 | TDP1 (0.30) | — | |
| SCHEMBL28178039 | 0.63 | TDP1 (0.36) | — | |
| SCHEMBL12964578 | 0.63 | — | — | |
| SCHEMBL8229678 | 0.61 | — | — | |
| SCHEMBL18989492 | 0.61 | THRB (0.32) | — | |
| SCHEMBL18989470 | 0.61 | THRB (0.32) | — | |
| SCHEMBL18989497 | 0.61 | THRB (0.32) | — | |
| SCHEMBL12336204 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102918701-A | Polyether functionalized redox shuttle additives for lithium ion batteries | UCHICAGO ARGONNE LLC | 2013-02-06 | — | — | CN | disclosed |