⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL117982 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL17202070 | 0.72 | — | — | |
| SCHEMBL783379 | 0.72 | — | — | |
| SCHEMBL16119557 | 0.70 | — | — | |
| SCHEMBL28926770 | 0.70 | CRBN (0.35) | — | |
| SCHEMBL7190496 | 0.67 | CRBN (0.42) | — | |
| SCHEMBL24535859 | 0.67 | — | — | |
| SCHEMBL14827659 | 0.67 | CRBN (0.32) | — | |
| SCHEMBL2482988 | 0.67 | — | — | |
| SCHEMBL22556195 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104926793-B | Tumor-treating compound and application thereof | 成都海创药业有限公司 | 2017-05-24 | — | — | CN | disclosed |