⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL287910 | 0.97 | — | — | |
| SCHEMBL1732518 | 0.97 | — | — | |
| SCHEMBL1732573 | 0.97 | — | — | |
| Bromide SCHEMBL20957500 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL18580777 | 0.95 | — | — | |
| SCHEMBL28087029 | 0.95 | — | — | |
| Dimethylamine SCHEMBL28781213 | 0.90 | LCK (0.59) | — | |
| Butane SCHEMBL4877550 | 0.86 | LCK (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL27970210 | 0.85 | LCK (0.79) | — | |
| SCHEMBL1449048 | 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 2 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-103923092-B | Tetrandrine derivative and preparation method thereof and the application in antineoplastic preparation | Shangdong Normal University (CN) | 2016-05-11 | — | — | CN | disclosed |