⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27606355 | 0.79 | — | — | |
| SCHEMBL10693998 | 0.75 | — | — | |
| SCHEMBL1864811 | 0.72 | — | — | |
| SCHEMBL27675230 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL28752770 | 0.69 | — | — | |
| SCHEMBL7369074 | 0.68 | — | — | |
| SCHEMBL158794 | 0.68 | — | — | |
| SCHEMBL7408890 | 0.68 | — | — | |
| SCHEMBL6392490 | 0.68 | — | — | |
| SCHEMBL27606294 | 0.68 | — | — |
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-1553900-A | Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents | ��ʱ��ʩ����ҩ��˾ | 2004-12-08 | — | — | CN | disclosed |