⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25920340 | 0.86 | — | — | |
| SCHEMBL25919939 | 0.82 | PAOX (0.37) | — | |
| SCHEMBL25919936 | 0.82 | PAOX (0.37) | — | |
| SCHEMBL25896237 | 0.81 | PAOX (0.35) | — | |
| SCHEMBL26045019 | 0.80 | EPHX1 (0.36) | — | |
| SCHEMBL9972418 | 0.79 | KIF11 (0.39) | — | |
| SCHEMBL26045016 | 0.78 | KDM4C (0.36) | — | |
| SCHEMBL9972415 | 0.74 | KDM4C (0.44) | — | |
| SCHEMBL25920329 | 0.70 | CHRM2 (0.31) | — | |
| SCHEMBL25896258 | 0.70 | HDAC3 (0.33) | — |
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-20120184489-A1 | PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2012-07-19 | — | — | US | disclosed |