⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12745273 | 0.87 | HCAR2 (0.35) | — | |
| SCHEMBL12745262 | 0.62 | BAZ2B (0.33) | — | |
| SCHEMBL12745047 | 0.62 | GRIN2B (0.30) | — | |
| SCHEMBL1144778 | 0.56 | POLB (0.39) | — | |
| SCHEMBL30319368 | 0.56 | LMNA (0.44) | — | |
| SCHEMBL17427371 | 0.56 | CFTR (0.39) | — | |
| SCHEMBL13683180 | 0.55 | KDM4E (0.41) | — | |
| SCHEMBL38664334 | 0.55 | KDM4E (0.39) | — | |
| SCHEMBL13683126 | 0.55 | POLB (0.57) | — | |
| SCHEMBL22450707 | 0.55 | L3MBTL1 (0.44) | — |
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-20110071289-A1 | AMINOPYRAZOLE AMIDE DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2011-03-24 | — | — | US | disclosed |