⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL319456 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28863826 | 0.84 | — | — | |
| SCHEMBL27742664 | 0.84 | — | — | |
| SCHEMBL8676820 | 0.84 | — | — | |
| SCHEMBL28986150 | 0.82 | RAD52 (0.32) | — | |
| SCHEMBL28215152 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28222226 | 0.81 | — | — | |
| SCHEMBL29152166 | 0.80 | RAD52 (0.31) | — | |
| SCHEMBL27925654 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL28232209 | 0.77 | AXL (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108383736-A | A kind of preparation method for the quaternary ammonium salt that impurity ion content is low | 常州大学 | 2018-08-10 | — | — | CN | disclosed |
| CN-108329216-A | A kind of preparation method of high-purity ultracapacitor electrolysis matter quaternary ammonium salt | 常州大学 | 2018-07-27 | — | — | CN | disclosed |
| CN-108147937-A | A kind of preparation method of quaternary ammonium salt | 常州大学 | 2018-06-12 | — | — | CN | disclosed |
| CN-108003033-A | A kind of preparation method of quaternary ammonium salt for super capacitor | 常州大学 | 2018-05-08 | — | — | CN | disclosed |
| CN-107793442-A | A kind of preparation method of tetrafluoroborate | 常州大学 | 2018-03-13 | — | — | CN | disclosed |
| CN-107602396-A | A kind of preparation method of the low quaternary ammonium salt of content of halide ions | 常州大学 | 2018-01-19 | — | — | CN | disclosed |