⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14155689 | 0.84 | — | — | |
| SCHEMBL976436 | 0.77 | — | — | |
| SCHEMBL1895421 | 0.69 | — | — | |
| SCHEMBL114679 | 0.69 | — | — | |
| SCHEMBL11601251 | 0.69 | — | — | |
| SCHEMBL3111843 | 0.67 | — | — | |
| SCHEMBL11533013 | 0.65 | — | — | |
| SCHEMBL3109116 | 0.65 | — | — | |
| SCHEMBL9244265 | 0.65 | — | — | |
| SCHEMBL22288480 | 0.65 | — | — |
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-4150057-A | ION EXCHANGING, REACTION OF BORON COMPOUND WITH DIMETHYL SULFIDE AND HYDROCHLORIC ACID | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-04-17 | — | — | US | disclosed |