⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6002852 | 0.87 | — | — | |
| SCHEMBL2089722 | 0.82 | — | — | |
| SCHEMBL4671779 | 0.82 | — | — | |
| SCHEMBL2091158 | 0.77 | — | — | |
| SCHEMBL5318623 | 0.75 | — | — | |
| SCHEMBL2091408 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9928911 | 0.71 | HRH2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1949038 | 0.71 | — | — | |
| SCHEMBL5541679 | 0.71 | — | — | |
| SCHEMBL2092619 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4358327-A | A DIISOCYANATE-CURED BINDER OF ENDCAPPED POLYOXYPROPYLENE GLYCOL AND A DI/2-HYDROXYETHYL)TETRAZOLE; LOW TEMPERATURE; INFLATABLE DEVICES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1982-11-09 | — | — | US | disclosed |
| US-4142029-A | Bis-tetrazoles as chemical blowing agents for foaming thermoplastic resins | CIBA-GEIGY CORPORATION (US) | 1979-02-27 | — | — | US | disclosed |