⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13628736 | 0.77 | NPSR1 (0.33) | — | |
| SCHEMBL13628716 | 0.75 | COMT (0.36) | — | |
| SCHEMBL13628703 | 0.71 | MEN1 (0.34) | — | |
| SCHEMBL13628757 | 0.68 | — | — | |
| SCHEMBL4730858 | 0.66 | NPC1 (0.42) | — | |
| SCHEMBL21242190 | 0.66 | ALDH1A1 (0.46) | — | |
| SCHEMBL14074871 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL8830055 | 0.65 | LOXL2 (0.58) | — | |
| SCHEMBL12151405 | 0.64 | — | — | |
| SCHEMBL23562286 | 0.64 | HDAC6 (0.60) | — |
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-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |