⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13868619 | 0.90 | — | — | |
| SCHEMBL13868616 | 0.61 | — | — | |
| SCHEMBL11189652 | 0.45 | PDE10A (0.39) | — | |
| SCHEMBL31609082 | 0.44 | PSMB5 (0.47) | — | |
| SCHEMBL9908633 | 0.43 | SELL (0.33) | — | |
| SCHEMBL2427291 | 0.42 | ALDH1A1 (0.44) | — | |
| SCHEMBL13406223 | 0.42 | ABCG2 (0.56) | — | |
| SCHEMBL13390474 | 0.42 | — | — | |
| SCHEMBL31480928 | 0.42 | KMT2A (0.41) | — | |
| SCHEMBL12993816 | 0.41 | ALOX5 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7531359-B2 | Specifically designed to interact with organophosphorus vapors, especially nerve gas agents, sarin gas or dimethyl methylphosphonate; enhanced selectivity and sensitivity; surface plasmon resonance | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2009-05-12 | — | — | US | disclosed |
| US-20070036681-A1 | CAVITANDS FOR CHEMICAL VAPOR SENSING | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2007-02-15 | — | — | US | disclosed |