⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126597 | 0.79 | — | — | |
| SCHEMBL10017391 | 0.77 | — | — | |
| SCHEMBL1958674 | 0.74 | — | — | |
| SCHEMBL1519065 | 0.72 | — | — | |
| SCHEMBL6061574 | 0.72 | — | — | |
| SCHEMBL2853648 | 0.67 | — | — | |
| SCHEMBL6842421 | 0.65 | — | — | |
| Methyl Alcohol SCHEMBL28320506 | 0.64 | — | — | |
| SCHEMBL2409739 | 0.63 | — | — | |
| SCHEMBL9128125 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4139403-A | Dinitroalkyl and fluorodinitroalkyl silicon compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1979-02-13 | — | — | US | disclosed |