⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL3740681 | 0.96 | — | — | |
| Ether SCHEMBL27671312 | 0.91 | — | — | |
| Ether SCHEMBL8713692 | 0.86 | — | — | |
| Ether SCHEMBL6 | 0.85 | — | — | |
| Ether SCHEMBL21406 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248674 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8022835 | 0.82 | — | — | |
| Ether SCHEMBL28218048 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106279227-A | The preparation method of lithium triethylborohydride tetrahydrofuran solution | 车荣睿 | 2017-01-04 | — | — | CN | claimed |
| CN-108333349-A | A kind of 4- methyl methcathinone artificial antigen and preparation method and utilization | 浙江东方基因生物制品股份有限公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-106279227-A | The preparation method of lithium triethylborohydride tetrahydrofuran solution | 车荣睿 | 2017-01-04 | — | — | CN | disclosed |
| CN-106279227-A | The preparation method of lithium triethylborohydride tetrahydrofuran solution | 车荣睿 | 2017-01-04 | — | — | CN | disclosed |
| US-5138110-A | Continuously feeding hx and lower alcohol, distillation | BROMINE COMPOUNDS LTD. (IL) | 1992-08-11 | — | — | US | disclosed |