⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17293290 | 0.71 | — | — | |
| SCHEMBL8165085 | 0.68 | — | — | |
| SCHEMBL27972010 | 0.67 | DGAT1 (0.37) | — | |
| SCHEMBL29815587 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL27870872 | 0.66 | — | — | |
| SCHEMBL27790429 | 0.65 | MEN1 (0.30) | — | |
| SCHEMBL29815455 | 0.65 | PKM (0.41) | — | |
| SCHEMBL29815620 | 0.63 | PKM (0.37) | — | |
| SCHEMBL1895685 | 0.63 | — | — | |
| SCHEMBL47526 | 0.63 | CYP4F2 (0.37) | — |
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-101321726-A | Novel fused pyrrole derivative | DAINIPPON SUMITOMO PHARMA CO (JP) | 2008-12-10 | — | — | CN | disclosed |