⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17613653 | 0.85 | CA12 (0.30) | — | |
| SCHEMBL12022679 | 0.79 | — | — | |
| SCHEMBL17613668 | 0.77 | CYP1A2 (0.32) | — | |
| SCHEMBL17613700 | 0.75 | — | — | |
| SCHEMBL17613687 | 0.75 | — | — | |
| SCHEMBL17613658 | 0.74 | — | — | |
| SCHEMBL17613591 | 0.74 | — | — | |
| SCHEMBL17613718 | 0.73 | — | — | |
| SCHEMBL17613635 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL8940412 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2346883-B1 | SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE | PETERSEN SCOTT G (US) | 2016-03-23 | — | — | EP | disclosed |