⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL167536 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3982823 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL11872052 | 0.86 | — | — | |
| SCHEMBL10646742 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL9695843 | 0.80 | — | — | |
| Benzene SCHEMBL8598168 | 0.76 | — | — | |
| Urea SCHEMBL1556120 | 0.68 | — | — | |
| Sulfuric Acid SCHEMBL1067625 | 0.68 | — | — | |
| Sulfuric Acid SCHEMBL1067624 | 0.68 | CA5A (0.55) | — | |
| SCHEMBL1051762 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000078306-A1 | GOLD-CONTAINING CHEMOTHERAPEUTIC AGENTS | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2000-12-28 | — | — | WO | disclosed |