⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51455 | 0.95 | — | — | |
| SCHEMBL18813463 | 0.90 | — | — | |
| SCHEMBL27429889 | 0.90 | — | — | |
| SCHEMBL27800090 | 0.90 | — | — | |
| SCHEMBL10904232 | 0.90 | — | — | |
| Water SCHEMBL27814159 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27838021 | 0.90 | — | — | |
| Trimethylammonium SCHEMBL4267426 | 0.82 | ALDH1A1 (0.33) | — | |
| Propane SCHEMBL28751644 | 0.82 | — | — | |
| Dimethylamine SCHEMBL4260162 | 0.82 | — | — |
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-104425841-B | A kind of non-aqueous organic high-voltage electrolyte additive, non-aqueous organic high-voltage electrolyte and lithium rechargeable battery | 华为技术有限公司 | 2017-10-17 | — | — | CN | disclosed |
| CN-104425841-A | Nonaqueous organic high voltage electrolyte additive, nonaqueous organic high voltage electrolyte and lithium ion secondary battery | HUAWEI TECH CO LTD | 2015-03-18 | — | — | CN | disclosed |