⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28147227 | 0.81 | — | — | |
| SCHEMBL27893545 | 0.76 | — | — | |
| SCHEMBL27559370 | 0.74 | HSD11B1 (0.31) | — | |
| SCHEMBL27607759 | 0.74 | — | — | |
| SCHEMBL27271686 | 0.74 | — | — | |
| SCHEMBL27964403 | 0.73 | — | — | |
| SCHEMBL28142693 | 0.67 | — | — | |
| SCHEMBL28100259 | 0.66 | — | — | |
| SCHEMBL639478 | 0.65 | — | — | |
| SCHEMBL639477 | 0.65 | — | — |
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-101128454-A | Pyridine carboxamide derivatives for use as anticancer agents | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |
| CN-101048388-A | Quinazolinone derivatives and their use as B-Raf inhibitors | ASTRAZENECA AB (SE) | 2007-10-03 | — | — | CN | disclosed |
| CN-1684966-A | Novel adenine compound and use thereof | SUMITOMO PHARMA (JP) | 2005-10-19 | — | — | CN | disclosed |