⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6542573 | 0.79 | LOXL2 (0.34) | — | |
| SCHEMBL454532 | 0.79 | CYP2A6 (0.34) | — | |
| SCHEMBL16959951 | 0.76 | AR (0.34) | — | |
| SCHEMBL10588785 | 0.75 | GABRA1 (0.32) | — | |
| SCHEMBL18691006 | 0.75 | GABRA1 (0.34) | — | |
| SCHEMBL28093432 | 0.73 | KDM4E (0.39) | — | |
| SCHEMBL6327810 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL408050 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL1759451 | 0.71 | CYP19A1 (0.46) | — | |
| SCHEMBL596255 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105261789-B | electrolyte and lithium ion battery including the electrolyte | 宁德新能源科技有限公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-105375065-A | Electrolyte and lithium ion battery containing same | NINGDE AMPEREX TECHNOLOGY LTD | 2016-03-02 | — | — | CN | disclosed |
| CN-105261789-A | Electrolyte and lithium ion battery including same | NINGDE AMPEREX TECHNOLOGY LTD | 2016-01-20 | — | — | CN | disclosed |