⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL9175580 | 0.88 | — | — | |
| Ether SCHEMBL4973856 | 0.82 | — | — | |
| Ether SCHEMBL11882966 | 0.82 | — | — | |
| Ether SCHEMBL9788714 | 0.82 | — | — | |
| Ether SCHEMBL21406 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL6 | 0.82 | — | — | |
| Ether SCHEMBL9248674 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL5695366 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115020670-A | MOFs modified silicon-based negative electrode material and preparation method thereof | 合肥国轩高科动力能源有限公司 | 2022-09-06 | — | — | CN | disclosed |