⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27451461 | 0.72 | PLG (0.44) | — | |
| SCHEMBL2302542 | 0.72 | SIRT1 (0.33) | — | |
| SCHEMBL7371354 | 0.68 | TSHR (0.39) | — | |
| SCHEMBL10683272 | 0.68 | SLC6A1 (0.38) | — | |
| SCHEMBL4611943 | 0.65 | — | — | |
| SCHEMBL27445281 | 0.64 | — | — | |
| SCHEMBL27701667 | 0.64 | — | — | |
| SCHEMBL20590460 | 0.63 | — | — | |
| SCHEMBL5934457 | 0.63 | — | — | |
| SCHEMBL3825223 | 0.63 | — | — |
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-105924403-A | Cyclomalonamide compound with antitumor activity, and preparation method and application thereof | 西安交通大学 | 2016-09-07 | — | — | CN | claimed |
| CN-105924403-A | Cyclomalonamide compound with antitumor activity, and preparation method and application thereof | 西安交通大学 | 2016-09-07 | — | — | CN | disclosed |
| CN-105906568-A | Cyclopropane diamide compound with antitumor activity and preparation method and application thereof | 西安交通大学 | 2016-08-31 | — | — | CN | disclosed |