⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL279147 | 0.91 | HPGD (0.32) | — | |
| SCHEMBL275811 | 0.89 | PPARA (0.36) | — | |
| SCHEMBL279201 | 0.89 | HPGD (0.37) | — | |
| SCHEMBL279111 | 0.89 | PPARA (0.36) | — | |
| SCHEMBL278919 | 0.81 | LMNA (0.40) | — | |
| SCHEMBL275040 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL278954 | 0.80 | DRD2 (0.31) | — | |
| SCHEMBL13929150 | 0.79 | HPGD (0.46) | — | |
| SCHEMBL13929075 | 0.79 | HPGD (0.44) | — | |
| SCHEMBL14284396 | 0.79 | CCR5 (0.33) | — |
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-8134001-B2 | Spiroindolinone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-03-13 | — | — | US | disclosed |
| US-20090156610-A1 | Spiroindolinone Derivatives | DING QINGJIE | 2009-06-18 | — | — | US | disclosed |