⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL344587 | 0.87 | NR1H2 (0.34) | — | |
| SCHEMBL476746 | 0.83 | — | — | |
| SCHEMBL344588 | 0.74 | — | — | |
| SCHEMBL343240 | 0.71 | NR1H2 (0.33) | — | |
| SCHEMBL3712125 | 0.71 | — | — | |
| SCHEMBL31663382 | 0.70 | — | — | |
| SCHEMBL343242 | 0.70 | — | — | |
| SCHEMBL16096720 | 0.69 | — | — | |
| SCHEMBL343241 | 0.68 | — | — | |
| SCHEMBL31663378 | 0.68 | PPM1D (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263632-B2 | Aminopyridine derivatives having Aurora A selective inhibitory action | VERTEX PHARMACEUTICALS INCOPORATED (US) | 2012-09-11 | — | — | US | disclosed |
| WO-2010111057-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-09-30 | — | — | WO | disclosed |