⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28199015 | 0.91 | — | — | |
| SCHEMBL780 | 0.89 | — | — | |
| SCHEMBL29940263 | 0.89 | — | — | |
| SCHEMBL1493171 | 0.80 | — | — | |
| SCHEMBL20488766 | 0.80 | — | — | |
| Lithium SCHEMBL838176 | 0.80 | — | — | |
| SCHEMBL64817 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL22499772 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL21987862 | 0.80 | — | — | |
| SCHEMBL8778140 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114824468-A | Multifunctional lithium battery additive containing fluorine and boron substances and application thereof | 中国科学院物理研究所 | 2022-07-29 | — | — | CN | claimed |
| CN-114824468-A | Multifunctional lithium battery additive containing fluorine and boron substances and application thereof | 中国科学院物理研究所 | 2022-07-29 | — | — | CN | disclosed |
| CN-104245818-B | Rubber composition and tire | 株式会社可乐丽 | 2016-10-19 | — | — | CN | disclosed |
| CN-106009069-A | Rubber composition and tire | 株式会社可乐丽 | 2016-10-12 | — | — | CN | disclosed |