⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8950943 | 0.98 | ALOX15 (0.30) | — | |
| SCHEMBL2450587 | 0.81 | TDP1 (0.39) | — | |
| SCHEMBL8572716 | 0.78 | ALOX15 (0.45) | — | |
| SCHEMBL8572713 | 0.78 | ALOX15 (0.45) | — | |
| SCHEMBL8950946 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL7108167 | 0.77 | TDP1 (0.32) | — | |
| SCHEMBL28397886 | 0.77 | GABRR1 (0.33) | — | |
| SCHEMBL8948276 | 0.76 | OR51E2 (0.36) | — | |
| SCHEMBL22645617 | 0.76 | OR51E2 (0.36) | — | |
| SCHEMBL7101078 | 0.76 | — | — |
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-5585391-A | Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-12-17 | — | — | US | disclosed |
| US-5574050-A | Hydroxyl ions as unique therapeutic agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-11-12 | — | — | US | disclosed |