⚠ 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 SCHEMBL215866 | 1.00 | — | — | |
| Dimethylamine SCHEMBL11875671 | 1.00 | — | — | |
| Cyclopropane SCHEMBL6581067 | 1.00 | — | — | |
| Dimethylamine SCHEMBL28251835 | 1.00 | KDM4E (0.30) | — | |
| Dimethylamine SCHEMBL2535186 | 1.00 | KDM4E (0.30) | — | |
| Cyclopropane SCHEMBL27673523 | 0.94 | — | — | |
| Cyclopropane SCHEMBL28254306 | 0.94 | — | — | |
| Cyclopropane SCHEMBL27673566 | 0.94 | — | — | |
| Cyclopropane SCHEMBL27684296 | 0.88 | — | — | |
| Dimethylamine SCHEMBL5164633 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113045373-A | Synthesis method of 4- (3-butene-1-yl) -4 '-alkyl-1, 1' -biphenyl liquid crystal monomer | 烟台盛华液晶材料有限公司 | 2021-06-29 | — | — | CN | claimed |
| CN-113045373-A | Synthesis method of 4- (3-butene-1-yl) -4 '-alkyl-1, 1' -biphenyl liquid crystal monomer | 烟台盛华液晶材料有限公司 | 2021-06-29 | — | — | CN | disclosed |