⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL965297 | 0.89 | FBP1 (0.34) | — | |
| SCHEMBL9452963 | 0.73 | PGK1 (0.41) | — | |
| SCHEMBL5725308 | 0.72 | CDK2 (0.38) | — | |
| SCHEMBL959709 | 0.70 | FBP1 (0.34) | — | |
| SCHEMBL6787893 | 0.70 | FDPS (0.35) | — | |
| SCHEMBL11399104 | 0.69 | VHL (0.43) | — | |
| SCHEMBL915243 | 0.68 | PGK1 (0.37) | — | |
| SCHEMBL11397478 | 0.68 | EPHX2 (0.35) | — | |
| SCHEMBL776263 | 0.67 | LAP3 (0.36) | — | |
| SCHEMBL4903448 | 0.67 | CYP19A1 (0.41) | — |
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-20110015181-A1 | ALKYLAMINOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-2264026-A1 | ALKYLAMINOPYRIDINE DERIVATIVE | Banyu Pharmaceutical Co., Ltd. (JP) | 2010-12-22 | — | — | EP | disclosed |