⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24339 | 0.96 | — | — | |
| SCHEMBL1567548 | 0.96 | — | — | |
| SCHEMBL852065 | 0.96 | — | — | |
| SCHEMBL6916775 | 0.92 | — | — | |
| SCHEMBL6917118 | 0.92 | — | — | |
| Bicarbonate SCHEMBL10625397 | 0.92 | LMNA (0.53) | — | |
| SCHEMBL6914397 | 0.92 | — | — | |
| SCHEMBL5915058 | 0.92 | — | — | |
| Methane SCHEMBL14141569 | 0.92 | — | — | |
| SCHEMBL10408947 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103910739-B | A kind of Bisbenzylisoquinolincompounds glycine betaine and preparation method thereof and the application in preparing antitumor drug | 山东师范大学 | 2016-08-17 | — | — | CN | claimed |
| CN-103923092-B | Tetrandrine derivative and preparation method thereof and the application in antineoplastic preparation | Shangdong Normal University (CN) | 2016-05-11 | — | — | CN | claimed |
| CN-103910739-B | A kind of Bisbenzylisoquinolincompounds glycine betaine and preparation method thereof and the application in preparing antitumor drug | 山东师范大学 | 2016-08-17 | — | — | CN | disclosed |
| CN-103923092-B | Tetrandrine derivative and preparation method thereof and the application in antineoplastic preparation | Shangdong Normal University (CN) | 2016-05-11 | — | — | CN | disclosed |