⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13398382 | 0.92 | KDM4E (0.31) | — | |
| SCHEMBL22641427 | 0.73 | ALPL (0.33) | — | |
| SCHEMBL10187638 | 0.73 | — | — | |
| SCHEMBL26327441 | 0.73 | ALPL (0.33) | — | |
| SCHEMBL22641431 | 0.73 | ALPL (0.33) | — | |
| SCHEMBL13062890 | 0.72 | SOS1 (0.33) | — | |
| SCHEMBL6585733 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL339491 | 0.72 | — | — | |
| SCHEMBL6588542 | 0.72 | KDM4E (0.36) | — | |
| Hydrochloric Acid SCHEMBL572007 | 0.71 | ALPL (0.32) | — |
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-20090258871-A1 | Aza-Substituted Spiro Derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-10-15 | — | — | US | disclosed |