⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13868618 | 0.79 | — | — | |
| SCHEMBL13868616 | 0.59 | — | — | |
| SCHEMBL9327364 | 0.52 | ATM (0.38) | — | |
| SCHEMBL13661752 | 0.51 | ADRA2A (0.44) | — | |
| SCHEMBL13663654 | 0.51 | ADRA2A (0.44) | — | |
| SCHEMBL13661746 | 0.51 | ADRA2A (0.44) | — | |
| SCHEMBL16418579 | 0.51 | OPRK1 (0.41) | — | |
| SCHEMBL9752010 | 0.50 | L3MBTL1 (0.41) | — | |
| SCHEMBL13747781 | 0.48 | ADRA2A (0.46) | — | |
| SCHEMBL9327269 | 0.48 | HRH2 (0.39) | — |
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 |