⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9418619 | 0.66 | SORD (0.50) | — | |
| SCHEMBL9803609 | 0.62 | SORD (0.43) | — | |
| SCHEMBL724177 | 0.61 | SORD (0.42) | — | |
| SCHEMBL3192090 | 0.61 | SORD (0.42) | — | |
| SCHEMBL28913371 | 0.57 | — | — | |
| SCHEMBL29008333 | 0.56 | — | — | |
| SCHEMBL580727 | 0.56 | — | — | |
| SCHEMBL29592924 | 0.55 | LMNA (0.44) | — | |
| SCHEMBL4162150 | 0.55 | HRH3 (0.43) | — | |
| SCHEMBL28661266 | 0.55 | HSP90AA1 (0.31) | — |
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-113444084-A | Anti-tumor compound and preparation and application thereof | 东南大学 | 2021-09-28 | — | — | CN | disclosed |