⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23177 | 0.95 | — | — | |
| Methane SCHEMBL27631775 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL28126271 | 0.90 | — | — | |
| SCHEMBL28326112 | 0.90 | — | — | |
| Ethylene SCHEMBL27543309 | 0.90 | — | — | |
| SCHEMBL27283514 | 0.90 | — | — | |
| Phosphine SCHEMBL27754985 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL27308679 | 0.90 | — | — | |
| SCHEMBL28188841 | 0.90 | — | — | |
| SCHEMBL27276494 | 0.90 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108023125-A | A kind of preparation method for improving lithium ion battery chemical property | 覃晓捷 | 2018-05-11 | — | — | CN | disclosed |
| CN-107732292-A | A kind of lithium ion battery and its processing method for improving chemical property | 覃晓捷 | 2018-02-23 | — | — | CN | disclosed |