⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29373986 | 0.71 | — | — | |
| SCHEMBL29355606 | 0.71 | — | — | |
| SCHEMBL5712288 | 0.71 | — | — | |
| SCHEMBL114762 | 0.71 | — | — | |
| SCHEMBL11325053 | 0.71 | — | — | |
| SCHEMBL32158 | 0.71 | — | — | |
| SCHEMBL23528951 | 0.50 | — | — | |
| SCHEMBL2671521 | 0.50 | — | — | |
| SCHEMBL1899196 | 0.50 | — | — | |
| SCHEMBL20702113 | 0.50 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7648602-B1 | Reagents for hypergolic ignition of nitroarenes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2010-01-19 | — | — | US | claimed |
| CN-103288050-A | Preparation method of novel efficient hydrogen storage material of metal B-N-H system | UNIV FUDAN | 2013-09-11 | — | — | CN | disclosed |
| CN-103288051-A | Preparation method of novel efficient niobium-boron-containing hydride amide of hydrogen storage system | UNIV FUDAN | 2013-09-11 | — | — | CN | disclosed |
| US-7648602-B1 | Reagents for hypergolic ignition of nitroarenes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2010-01-19 | — | — | US | disclosed |