⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13979202 | 0.82 | CES2 (0.40) | — | |
| SCHEMBL12787733 | 0.75 | — | — | |
| SCHEMBL11671911 | 0.74 | ALDH1A1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL12610472 | 0.74 | CES2 (0.47) | — | |
| SCHEMBL14224965 | 0.73 | GAA (0.46) | — | |
| SCHEMBL456770 | 0.72 | — | — | |
| SCHEMBL28104919 | 0.72 | — | — | |
| SCHEMBL15695699 | 0.71 | — | — | |
| SCHEMBL2014541 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL2014540 | 0.71 | RAB9A (0.40) | — |
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-5928859-A | OXIDOREDUCTASE ENZYME CAPABLE OF REMOVING NITRITE FROM PENTAERYTHRITOL TETRANITRATE AND OTHER NITRATE ESTER COMPOUNDS; CAN BE PRODUCED BY CULTURING ENTEROBACTER CLOACAE | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN & NORTH IRELAND OF DEFENCE EVALUATION & RESEARCH AGENCY (GB) | 1999-07-27 | — | — | US | disclosed |