⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28000370 | 0.83 | CTSK (0.36) | — | |
| SCHEMBL28027057 | 0.77 | CYP19A1 (0.30) | — | |
| SCHEMBL28825902 | 0.77 | LDHA (0.40) | — | |
| SCHEMBL28268882 | 0.77 | — | — | |
| SCHEMBL28824696 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL28045730 | 0.75 | CTSK (0.37) | — | |
| SCHEMBL27835524 | 0.74 | HIF1A (0.33) | — | |
| SCHEMBL27749664 | 0.73 | USP2 (0.33) | — | |
| SCHEMBL28829366 | 0.73 | — | — | |
| SCHEMBL28265331 | 0.72 | — | — |
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-101356169-A | Pyrazine derivatives | PFIZER LTD (GB) | 2009-01-28 | — | — | CN | disclosed |