⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL298741 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27848519 | 0.95 | — | — | |
| SCHEMBL5161248 | 0.82 | — | — | |
| SCHEMBL1193464 | 0.77 | — | — | |
| Acrylamide SCHEMBL11761763 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL1685344 | 0.73 | — | — | |
| SCHEMBL5174927 | 0.72 | GNAI3 (0.35) | — | |
| SCHEMBL689547 | 0.71 | — | — | |
| SCHEMBL9572806 | 0.70 | — | — | |
| SCHEMBL28287505 | 0.70 | GNAI3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117999475-A | Electrochemical gas sensor and electrolyte for electrochemical gas sensor | 德尔格安全股份两合公司 | 2024-05-07 | — | — | CN | disclosed |