⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29512386 | 0.83 | GABRR1 (0.36) | — | |
| SCHEMBL4135528 | 0.80 | — | — | |
| SCHEMBL8874121 | 0.80 | — | — | |
| SCHEMBL13494737 | 0.78 | CYP1A2 (0.39) | — | |
| SCHEMBL1132105 | 0.78 | — | — | |
| SCHEMBL19537841 | 0.77 | GABRR1 (0.32) | — | |
| SCHEMBL20656259 | 0.76 | — | — | |
| SCHEMBL23065807 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL1132763 | 0.74 | GABRR1 (0.33) | — | |
| SCHEMBL502445 | 0.74 | GABRR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080056974-A1 | Fast, high capacity hydrogen sulfide scavengers | BAKER HUGHES INCORPORATED | 2008-03-06 | — | — | US | claimed |
| US-20230167127-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2023-06-01 | — | — | US | disclosed |
| US-20080056974-A1 | Fast, high capacity hydrogen sulfide scavengers | BAKER HUGHES INCORPORATED | 2008-03-06 | — | — | US | disclosed |