⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL3624789 | 1.00 | MEN1 (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL8766149 | 1.00 | MEN1 (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL5873261 | 1.00 | MEN1 (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL4896558 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL9056378 | 1.00 | — | — | |
| SCHEMBL143991 | 0.94 | MEN1 (0.75) | — | |
| SCHEMBL10425712 | 0.94 | — | — | |
| SCHEMBL7729275 | 0.94 | MEN1 (0.75) | — | |
| SCHEMBL1904768 | 0.94 | MEN1 (0.75) | — | |
| Ethylene SCHEMBL11882104 | 0.89 | — | — |
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-5110480-A | Removal of mercury from petroleum feedstock, waste waters and gases | MOBIL OIL CORPORATION (US) | 1992-05-05 | — | — | US | disclosed |