⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16629066 | 0.70 | — | — | |
| SCHEMBL6679243 | 0.65 | — | — | |
| SCHEMBL303741 | 0.65 | — | — | |
| SCHEMBL3509200 | 0.63 | — | — | |
| SCHEMBL8401749 | 0.63 | CYP2C9 (0.33) | — | |
| SCHEMBL17953038 | 0.62 | — | — | |
| SCHEMBL19140044 | 0.62 | — | — | |
| SCHEMBL10715181 | 0.61 | — | — | |
| SCHEMBL6510941 | 0.60 | CYP1A2 (0.31) | — | |
| SCHEMBL21515413 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1351956-A1 | SEMICARBAZIDES AND THEIR USES AS CYCLIN DEPENDENT KINASE INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002046182-A1 | SEMICARBAZIDES AND THEIR USES AS CYCLIN DEPENDENT KINASE INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-06-13 | — | — | WO | disclosed |