⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL18008072 | 0.91 | TP53 (0.34) | — | |
| Allylamine SCHEMBL18008094 | 0.89 | TP53 (0.40) | — | |
| Allylamine SCHEMBL18008383 | 0.88 | TP53 (0.39) | — | |
| Allylamine SCHEMBL18008678 | 0.88 | TP53 (0.39) | — | |
| Allylamine SCHEMBL18007974 | 0.88 | TP53 (0.39) | — | |
| Allylamine SCHEMBL18008295 | 0.88 | TP53 (0.39) | — | |
| Allylamine SCHEMBL18007876 | 0.88 | TP53 (0.39) | — | |
| Allylamine SCHEMBL18008785 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL3139960 | 0.86 | TP53 (0.32) | — | |
| SCHEMBL18008402 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3367088-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2018-08-29 | — | — | EP | disclosed |
| EP-3259583-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2017-12-27 | — | — | EP | disclosed |
| WO-2016131549-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2016-08-25 | — | — | WO | disclosed |