⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15832920 | 0.72 | — | — | |
| SCHEMBL13780560 | 0.72 | — | — | |
| SCHEMBL14611424 | 0.67 | — | — | |
| SCHEMBL18673183 | 0.65 | — | — | |
| SCHEMBL10603619 | 0.65 | — | — | |
| SCHEMBL17073897 | 0.65 | — | — | |
| SCHEMBL2666520 | 0.65 | — | — | |
| SCHEMBL15833687 | 0.65 | — | — | |
| SCHEMBL21395216 | 0.63 | — | — | |
| SCHEMBL20903415 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7452886-B2 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | NOVARTIS AG (CH) | 2008-11-18 | — | — | US | disclosed |