⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24459 | 0.85 | — | — | |
| Fluoride SCHEMBL498862 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL237157 | 0.80 | — | — | |
| SCHEMBL4778229 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL9538468 | 0.80 | ALDH1A1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL1138722 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL21385109 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL546609 | 0.80 | — | — | |
| Bromide SCHEMBL7178493 | 0.80 | — | — | |
| SCHEMBL4777357 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5958592-A | CURABLE COATING FOR INTEGRATED CIRCUIT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1999-09-28 | — | — | US | disclosed |
| US-5929199-A | POLYCYANURATES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1999-07-27 | — | — | US | disclosed |
| US-5807967-A | HEATING, CYCLIZATION A FLUORINATED DICYANATE TO GIVE POLYCYANURATE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1998-09-15 | — | — | US | disclosed |