⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL107198 | 0.82 | MAPT (0.61) | — | |
| SCHEMBL138489 | 0.82 | MAPT (0.61) | — | |
| SCHEMBL135604 | 0.79 | MAPT (0.65) | — | |
| SCHEMBL31175769 | 0.79 | MAPT (0.58) | — | |
| SCHEMBL9966009 | 0.79 | MAPT (0.65) | — | |
| SCHEMBL29009457 | 0.78 | — | — | |
| SCHEMBL4004419 | 0.77 | JUN (0.54) | — | |
| SCHEMBL4004416 | 0.77 | JUN (0.54) | — | |
| SCHEMBL15901869 | 0.74 | CYP1A2 (0.61) | — | |
| SCHEMBL15401259 | 0.74 | JUN (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012008563-A1 | NITROGENATED AROMATIC HETEROCYCLIC RING DERIVATIVE | 協和発酵キリン株式会社 (JP) | 2012-01-19 | — | — | WO | disclosed |