⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28812796 | 1.00 | — | — | |
| SCHEMBL51944 | 0.96 | — | — | |
| SCHEMBL233072 | 0.96 | — | — | |
| SCHEMBL233694 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1779013 | 0.92 | — | — | |
| SCHEMBL10408914 | 0.92 | — | — | |
| SCHEMBL10410196 | 0.92 | — | — | |
| Bromide SCHEMBL1779669 | 0.92 | — | — | |
| SCHEMBL10408806 | 0.92 | — | — | |
| Methane SCHEMBL1576574 | 0.92 | — | — |
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-103910740-B | Tetrandrine derivant and preparation method thereof and the application in prepared by antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | claimed |
| CN-103923092-A | Tetrandrine derivatives and preparation method and application thereof in preparation of antitumor medicine | UNIV SHANDONG NORMAL | 2014-07-16 | — | — | CN | claimed |
| CN-103910740-B | Tetrandrine derivant and preparation method thereof and the application in prepared by antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | disclosed |
| CN-103923092-A | Tetrandrine derivatives and preparation method and application thereof in preparation of antitumor medicine | UNIV SHANDONG NORMAL | 2014-07-16 | — | — | CN | disclosed |
| CN-103910739-A | Bisbenzylisoquinoline glycine betaines as well as preparation method and application thereof in preparing anti-tumor medicines | UNIV SHANDONG NORMAL | 2014-07-09 | — | — | CN | disclosed |