⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58903 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL4653036 | 0.78 | CA2 (0.37) | — | |
| SCHEMBL29656 | 0.75 | CA2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL270944 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL6691680 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL1743428 | 0.74 | — | — | |
| SCHEMBL1044669 | 0.73 | CA2 (0.45) | — | |
| SCHEMBL20526044 | 0.72 | CA2 (0.37) | — | |
| SCHEMBL7093894 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL1646157 | 0.72 | CA2 (0.33) | — |
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-8664171-B2 | Nitrated extreme pressure additives and blends | DOVER CHEMICAL CORPORATION (US) | 2014-03-04 | — | — | US | disclosed |
| US-20080305974-A1 | NITRATED EXTREME PRESSURE ADDITIVES AND BLENDS | DOVER CHEMICAL CORPORATION (US) | 2008-12-11 | — | — | US | disclosed |