⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128924 | 0.89 | — | — | |
| SCHEMBL4242070 | 0.89 | TSHR (1.00) | — | |
| Hydrochloric Acid SCHEMBL5148304 | 0.86 | — | — | |
| Ethylene SCHEMBL27441901 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL23406552 | 0.86 | TSHR (0.94) | — | |
| Hydrogen Sulfide SCHEMBL23406579 | 0.86 | TSHR (0.94) | — | |
| SCHEMBL30074426 | 0.86 | — | — | |
| Nitrogen SCHEMBL27994081 | 0.83 | — | — | |
| Cyanide SCHEMBL28989955 | 0.81 | — | — | |
| SCHEMBL5573982 | 0.77 | ALDH1A1 (0.75) | — |
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-5084577-A | Siloxanes for deodorants, antiperspirants or cosmetics | THE PROCTER & GAMBLE COMPANY (US) | 1992-01-28 | — | — | US | disclosed |