⚠ 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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL7914057 | 0.73 | — | — | |
| SCHEMBL20437732 | 0.73 | — | — | |
| SCHEMBL5984740 | 0.72 | ALDH1A1 (0.43) | — | |
| Nitric Acid SCHEMBL15789281 | 0.71 | — | — | |
| Nitric Acid SCHEMBL1331210 | 0.71 | CA5A (0.47) | — | |
| SCHEMBL7074066 | 0.69 | — | — | |
| SCHEMBL2038686 | 0.69 | — | — | |
| Nitric Acid SCHEMBL3422401 | 0.69 | CA5A (0.44) | — | |
| Nitric Acid SCHEMBL2734743 | 0.69 | — | — | |
| Nitric Acid SCHEMBL724142 | 0.67 | CA5A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4469888-A | HIGH YIELD FROM METHYLNITRAMINE AND FORMALDEHYDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-09-04 | — | — | US | disclosed |