⚠ 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 | |
|---|---|---|---|---|
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL466088 | 0.75 | — | — | |
| SCHEMBL8460356 | 0.75 | — | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL11773311 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL25656644 | 0.73 | — | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL11253890 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL1692084 | 0.73 | — | — | |
| SCHEMBL1358486 | 0.73 | — | — | |
| SCHEMBL10394530 | 0.71 | — | — | |
| SCHEMBL11420570 | 0.71 | — | — | |
| SCHEMBL26483 | 0.69 | TSHR (1.00) | — |
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-20120295862-A1 | NUCLEOBASE-FUNCTIONALIZED CONFORMATIONALLY RESTRICTED NUCLEOTIDES AND OLIGONUCLEOTIDES FOR TARGETING OF NUCLEIC ACIDS | The Univeristy of Idaho | 2012-11-22 | — | — | US | disclosed |