⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3626423 | 0.78 | — | — | |
| SCHEMBL2921585 | 0.77 | — | — | |
| SCHEMBL4056511 | 0.76 | ALDH1A1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL29215255 | 0.74 | — | — | |
| SCHEMBL28280677 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL23420554 | 0.72 | PTGS2 (0.38) | — | |
| SCHEMBL3985906 | 0.70 | THRB (0.36) | — | |
| SCHEMBL9951425 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL3287326 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL3293937 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0129995-B2 | A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS | AECI LIMITED (ZA) | 1993-09-08 | — | — | EP | claimed |
| EP-0129995-B1 | A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS | AECI LIMITED (ZA) | 1987-05-13 | — | — | EP | claimed |
| EP-0129995-A2 | A process for the manufacture of nitric acid esters | AECI LIMITED (ZA) | 1985-01-02 | — | — | EP | claimed |