⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10175097 | 0.94 | CYP2D6 (0.31) | — | |
| Cyanide SCHEMBL30330642 | 0.83 | RAPGEF4 (0.36) | — | |
| Cyanide SCHEMBL30212660 | 0.83 | KMT2A (0.37) | — | |
| Cyanide SCHEMBL30329970 | 0.82 | TLR8 (0.38) | — | |
| SCHEMBL28124367 | 0.82 | CYP2D6 (0.39) | — | |
| Cyanide SCHEMBL30330910 | 0.80 | EEF2K (0.38) | — | |
| Cyanide SCHEMBL30330040 | 0.80 | EEF2K (0.38) | — | |
| Cyanide SCHEMBL30330426 | 0.80 | EEF2K (0.38) | — | |
| Hydrochloric Acid SCHEMBL30212730 | 0.80 | CYP2D6 (0.38) | — | |
| SCHEMBL15018982 | 0.79 | NPC1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023046704-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-30 | — | — | WO | disclosed |
| EP-4155723-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-29 | — | — | EP | disclosed |