⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28655101 | 0.86 | — | — | |
| SCHEMBL4303758 | 0.75 | TSHR (0.45) | — | |
| SCHEMBL10604185 | 0.72 | — | — | |
| SCHEMBL28415922 | 0.72 | LPAR3 (0.39) | — | |
| SCHEMBL134075 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL10739007 | 0.71 | TSHR (0.50) | — | |
| Butane SCHEMBL11087786 | 0.71 | CYP1A2 (0.42) | — | |
| SCHEMBL3073339 | 0.69 | — | — | |
| SCHEMBL4644324 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL8463255 | 0.69 | DGKA (0.43) | — |
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-113571770-B | Electrolyte for natural graphite negative electrode lithium ion battery | 深圳市研一新材料有限责任公司 | 2023-05-05 | — | — | CN | claimed |
| CN-113571770-A | Electrolyte for natural graphite cathode lithium ion battery | 深圳市研一新材料有限责任公司 | 2021-10-29 | — | — | CN | claimed |
| CN-113571770-B | Electrolyte for natural graphite negative electrode lithium ion battery | 深圳市研一新材料有限责任公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-113571770-A | Electrolyte for natural graphite cathode lithium ion battery | 深圳市研一新材料有限责任公司 | 2021-10-29 | — | — | CN | disclosed |