⚠ 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 SCHEMBL8725000 | 0.84 | — | — | |
| Allylamine SCHEMBL6032547 | 0.83 | — | — | |
| Allylamine SCHEMBL15197 | 0.83 | — | — | |
| Allylamine SCHEMBL1101440 | 0.81 | — | — | |
| Allylamine SCHEMBL20240361 | 0.80 | — | — | |
| Allylamine SCHEMBL13256599 | 0.79 | — | — | |
| Allylamine SCHEMBL3369484 | 0.79 | — | — | |
| Allylamine SCHEMBL5891273 | 0.79 | — | — | |
| Allylamine SCHEMBL11373125 | 0.79 | — | — | |
| Allylamine SCHEMBL8196674 | 0.79 | ALDH1A1 (0.90) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8426583-B1 | Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2013-04-23 | — | — | US | disclosed |
| US-8426582-B1 | Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2013-04-23 | — | — | US | disclosed |
| US-8268991-B1 | Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2012-09-18 | — | — | US | disclosed |
| US-8268993-B1 | Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2012-09-18 | — | — | US | disclosed |
| US-7875714-B1 | heavy-metal-free sequence leading to a superior, more economical, and scalable process for the high efficiency conversion of hexaallylhexaazaisowurtzitane (HAllylIW) to hexanitrohexaazaisowurtzitane (CL-20); does not require benzylamine starting material; environmentally friendly | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2011-01-25 | — | — | US | disclosed |