⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL514647 | 0.95 | — | — | |
| Ethylene Glycol SCHEMBL27361208 | 0.95 | TSHR (0.50) | — | |
| Ethylene Glycol SCHEMBL7094965 | 0.95 | TSHR (0.50) | — | |
| Ethylene Glycol SCHEMBL27510557 | 0.95 | TSHR (0.50) | — | |
| Ethylene Glycol SCHEMBL27535632 | 0.91 | — | — | |
| Ethylene Glycol SCHEMBL5409966 | 0.81 | TSHR (0.36) | — | |
| Formic Acid SCHEMBL7116264 | 0.80 | — | — | |
| Formic Acid SCHEMBL74469 | 0.80 | — | — | |
| Formic Acid SCHEMBL19712884 | 0.80 | — | — | |
| Formic Acid SCHEMBL28223807 | 0.80 | — | — |
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-114975866-A | Negative pole piece treating fluid, surface-modified negative pole piece and lithium ion battery | 比亚迪股份有限公司 | 2022-08-30 | — | — | CN | disclosed |