⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1938 | 0.94 | — | — | |
| SCHEMBL29818845 | 0.94 | TSHR (1.00) | — | |
| Lithium SCHEMBL929003 | 0.89 | TSHR (0.89) | — | |
| SCHEMBL9193935 | 0.89 | — | — | |
| SCHEMBL8378298 | 0.89 | — | — | |
| SCHEMBL3422882 | 0.89 | TSHR (0.89) | — | |
| SCHEMBL6223954 | 0.89 | — | — | |
| Methane SCHEMBL9362880 | 0.89 | — | — | |
| SCHEMBL8377677 | 0.89 | — | — | |
| SCHEMBL8379533 | 0.89 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6417355-B1 | EXPLOSIVES, PROPELLANT OXIDIZERS; FLUOROAMINATION, NITRATION, SULFONYLATION | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2002-07-09 | — | — | US | claimed |
| US-6562985-B2 | Geminal-dinitro-1-5 diazocine derivatives | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2003-05-13 | — | — | US | disclosed |
| US-6562985-B2 | Geminal-dinitro-1-5 diazocine derivatives | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2003-05-13 | — | — | US | disclosed |
| US-20020161248-A1 | Geminal-dinitro-1-5 diazocine derivatives | CHAPMAN ROBERT DALE (US) | 2002-10-31 | — | — | US | disclosed |
| US-20020161248-A1 | Geminal-dinitro-1-5 diazocine derivatives | CHAPMAN ROBERT DALE (US) | 2002-10-31 | — | — | US | disclosed |
| US-6417355-B1 | EXPLOSIVES, PROPELLANT OXIDIZERS; FLUOROAMINATION, NITRATION, SULFONYLATION | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2002-07-09 | — | — | US | disclosed |
| US-6417355-B1 | EXPLOSIVES, PROPELLANT OXIDIZERS; FLUOROAMINATION, NITRATION, SULFONYLATION | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2002-07-09 | — | — | US | disclosed |