⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4751933 | 0.80 | — | — | |
| SCHEMBL7818116 | 0.76 | — | — | |
| SCHEMBL336761 | 0.74 | — | — | |
| SCHEMBL6223573 | 0.74 | — | — | |
| SCHEMBL946397 | 0.74 | — | — | |
| SCHEMBL5329747 | 0.74 | CXCR4 (0.37) | — | |
| SCHEMBL2276644 | 0.74 | — | — | |
| SCHEMBL7260250 | 0.74 | CXCR4 (0.37) | — | |
| SCHEMBL5242072 | 0.74 | — | — | |
| SCHEMBL1072430 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080306069-A1 | Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S | ASTEX THERAPEUTICS LIMITED (UK) | 2008-12-11 | — | — | US | disclosed |
| CN-1118459-C | Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists | HOFFMANN LA ROCHE (CH) | 2003-08-20 | — | — | CN | disclosed |
| CN-1149051-A | Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists | HOFFMANN LA ROCHE (CH) | 1997-05-07 | — | — | CN | disclosed |
| EP-0462229-A4 | CHEMICALLY MODIFIED CD4 PEPTIDE FRAGMENTS HAVING ANTI-RETROVIRAL PROPERTIES | — | 1992-03-11 | — | — | EP | disclosed |
| EP-0462229-A1 | CHEMICALLY MODIFIED CD4 PEPTIDE FRAGMENTS HAVING ANTI-RETROVIRAL PROPERTIES | GENELABS, INCORPORATED (US) | 1991-12-27 | — | — | EP | disclosed |