⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1157958 | 0.80 | TSHR (0.35) | — | |
| Dipentylamine SCHEMBL1157873 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL28220423 | 0.76 | — | — | |
| SCHEMBL21542484 | 0.76 | TSHR (0.44) | — | |
| Butane SCHEMBL31240952 | 0.71 | TSHR (0.33) | — | |
| Butane SCHEMBL3151333 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL10753226 | 0.71 | — | — | |
| Diethylamine SCHEMBL15348150 | 0.69 | — | — | |
| Butane SCHEMBL2158974 | 0.69 | — | — | |
| Butane SCHEMBL909419 | 0.68 | LMNA (0.31) | — |
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-106298262-A | A kind of high voltage bearing electrode slices for super capacitor and its preparation method and application | 常州立方能源技术有限公司 | 2017-01-04 | — | — | CN | claimed |
| CN-101163661-B | Method for purifying quaternary salts | HONEYWELL INTERNATIONAL INC. (US) | 2015-08-19 | — | — | CN | disclosed |