⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1857169 | 0.97 | — | — | |
| Butane SCHEMBL14675942 | 0.88 | FDPS (0.42) | — | |
| SCHEMBL8896698 | 0.77 | — | — | |
| SCHEMBL11298932 | 0.77 | TYMP (0.39) | — | |
| SCHEMBL12931010 | 0.76 | — | — | |
| SCHEMBL14675830 | 0.75 | TYMP (0.38) | — | |
| SCHEMBL2403454 | 0.73 | — | — | |
| SCHEMBL18375316 | 0.73 | — | — | |
| SCHEMBL28969669 | 0.73 | — | — | |
| SCHEMBL2355129 | 0.72 | KDM4E (0.44) | — |
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-115832427-A | Electrolyte, preparation method thereof and lithium ion battery containing electrolyte | 惠州亿纬动力电池有限公司 | 2023-03-21 | — | — | CN | disclosed |