⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL353390 | 0.72 | — | — | |
| SCHEMBL29225694 | 0.72 | — | — | |
| SCHEMBL29582826 | 0.72 | CYP11B2 (0.41) | — | |
| SCHEMBL25400825 | 0.69 | — | — | |
| SCHEMBL12778685 | 0.69 | GRM5 (0.41) | — | |
| SCHEMBL15907147 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL801878 | 0.68 | — | — | |
| SCHEMBL20544772 | 0.68 | — | — | |
| SCHEMBL12778693 | 0.68 | — | — | |
| SCHEMBL12777853 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9522910-B2 | Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon | Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) | 2016-12-20 | — | — | US | disclosed |
| EP-2743266-B1 | PROTEIN KINASE INHIBITORS (VARIANTS), USE THEREOF IN TREATING ONCOLOGICAL DISEASES AND A PHARMACEUTICAL COMPOSITION BASED THEREON | OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU FUSION PHARMA (RU) | 2016-08-17 | — | — | EP | disclosed |
| WO-2011050160-A1 | PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2011-04-28 | — | — | WO | disclosed |