⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25053992 | 0.91 | — | — | |
| SCHEMBL19546829 | 0.89 | — | — | |
| SCHEMBL20828535 | 0.77 | — | — | |
| SCHEMBL19441057 | 0.74 | — | — | |
| SCHEMBL20031101 | 0.74 | — | — | |
| SCHEMBL18714897 | 0.74 | — | — | |
| SCHEMBL21423381 | 0.74 | — | — | |
| SCHEMBL14540283 | 0.73 | — | — | |
| SCHEMBL20118000 | 0.73 | — | — | |
| SCHEMBL22256404 | 0.73 | — | — |
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-11585783-B2 | Gas sensor and gas-measuring device for detecting volatile organic compounds | Dräger Safety AG & Co. KGaA | 2023-02-21 | — | — | US | disclosed |