⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4626072 | 0.97 | — | — | |
| SCHEMBL28064049 | 0.95 | — | — | |
| SCHEMBL28087026 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL28086994 | 0.85 | CA2 (0.52) | — | |
| SCHEMBL706384 | 0.82 | — | — | |
| SCHEMBL27970527 | 0.80 | CA2 (0.52) | — | |
| SCHEMBL28064147 | 0.80 | CA2 (0.52) | — | |
| SCHEMBL20448523 | 0.80 | GPR84 (0.56) | — | |
| SCHEMBL3134446 | 0.80 | GABRR1 (0.39) | — | |
| SCHEMBL7247500 | 0.80 | GABRR1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |