⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55354 | 0.76 | — | — | |
| SCHEMBL9436380 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL17225016 | 0.74 | — | — | |
| Hydrogen Sulfide SCHEMBL27463519 | 0.74 | LOX (0.32) | — | |
| Acetonitrile SCHEMBL3230174 | 0.71 | — | — | |
| SCHEMBL8331332 | 0.70 | — | — | |
| Hexaethylene Glycol SCHEMBL7046764 | 0.66 | MEN1 (0.41) | — | |
| SCHEMBL994102 | 0.65 | — | — | |
| SCHEMBL30148034 | 0.65 | GAA (0.33) | — | |
| SCHEMBL30259800 | 0.65 | — | — |
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-2004113553-A2 | METHOD OF PRODUCING PURE AMIDITES AND OLIGONUCLEOTIDES | ISIS PHARMACEUTICALS, INC. (US) | 2004-12-29 | — | — | WO | disclosed |