⚠ 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 | 0.93 | — | — | |
| SCHEMBL9436380 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL17225016 | 0.91 | — | — | |
| Hydrogen Sulfide SCHEMBL27463519 | 0.91 | LOX (0.32) | — | |
| SCHEMBL30259800 | 0.83 | — | — | |
| Hexaethylene Glycol SCHEMBL7046764 | 0.80 | MEN1 (0.41) | — | |
| SCHEMBL30148034 | 0.79 | GAA (0.33) | — | |
| SCHEMBL23384087 | 0.75 | — | — | |
| SCHEMBL13497373 | 0.75 | — | — | |
| SCHEMBL19418536 | 0.75 | — | — |
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-2010021897-A1 | NUCLEOSIDIC PHOSPHORAMIDITE CRYSTALLINE MATERIAL AND A PROCESS FOR PURIFYING THE SAME | MERCK SHARP & DOHME CORP. (US) | 2010-02-25 | — | — | WO | disclosed |