⚠ 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 | |
|---|---|---|---|---|
| Hydrazine SCHEMBL11440104 | 0.90 | ALOX15 (0.30) | — | |
| Hydrazine SCHEMBL11440109 | 0.90 | — | — | |
| SCHEMBL107804 | 0.90 | — | — | |
| SCHEMBL11562188 | 0.87 | — | — | |
| SCHEMBL1889959 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL11376066 | 0.87 | — | — | |
| SCHEMBL11358116 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11230815 | 0.87 | — | — | |
| Magnesium SCHEMBL11127592 | 0.87 | — | — | |
| SCHEMBL4594108 | 0.87 | — | — |
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-4139616-A | Fungicidal compositions based on phosphorous acid esters and salts thereof | PEPRO (FR) | 1979-02-13 | — | — | US | disclosed |