⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1334650 | 0.95 | EPHX1 (0.42) | — | |
| SCHEMBL6207813 | 0.93 | EPHX1 (0.45) | — | |
| SCHEMBL31339503 | 0.93 | EPHX1 (0.45) | — | |
| SCHEMBL31339498 | 0.93 | EPHX1 (0.45) | — | |
| SCHEMBL28104542 | 0.90 | — | — | |
| SCHEMBL17681940 | 0.84 | SERPINE1 (0.31) | — | |
| SCHEMBL2528803 | 0.75 | EPHX1 (0.45) | — | |
| SCHEMBL2531983 | 0.73 | EPHX1 (0.48) | — | |
| Phenol SCHEMBL28869024 | 0.73 | BCHE (0.40) | — | |
| SCHEMBL27480429 | 0.73 | — | — |
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-109638354-B | Lithium ion battery electrolyte and lithium ion battery | 南通新宙邦电子材料有限公司 | 2021-04-09 | — | — | CN | claimed |
| CN-109638354-A | A kind of lithium-ion battery electrolytes and lithium ion battery | 南通新宙邦电子材料有限公司 | 2019-04-16 | — | — | CN | claimed |
| CN-119285565-A | Melamine monoamine ester derivative and preparation method thereof | 四川金象赛瑞化工股份有限公司 | 2025-01-10 | — | — | CN | disclosed |
| CN-109638354-B | Lithium ion battery electrolyte and lithium ion battery | 南通新宙邦电子材料有限公司 | 2021-04-09 | — | — | CN | disclosed |