⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL434093 | 1.00 | — | — | |
| Cyclohexane SCHEMBL9860777 | 1.00 | — | — | |
| Cycloheptane SCHEMBL8811487 | 0.76 | ALDH1A1 (0.30) | — | |
| Cycloheptane SCHEMBL4048765 | 0.76 | ALDH1A1 (0.30) | — | |
| Cyclopropane SCHEMBL10596924 | 0.76 | — | — | |
| Carbimide SCHEMBL1235 | 0.76 | — | — | |
| Cyclohexane SCHEMBL11564271 | 0.76 | ALDH1A1 (0.30) | — | |
| Cyclopentane SCHEMBL3823201 | 0.76 | — | — | |
| Cyclopentane SCHEMBL661225 | 0.76 | ALDH1A1 (0.30) | — | |
| Cyclopropane SCHEMBL247293 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108690416-B | Polymer-ceramic hybrid coating composition and method for producing battery separation membrane using same | 杰拉布里德有限公司 | 2020-07-28 | — | — | CN | disclosed |