⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17366322 | 0.89 | — | — | |
| SCHEMBL13246904 | 0.83 | PTPN1 (0.37) | — | |
| SCHEMBL13639500 | 0.81 | — | — | |
| SCHEMBL77663 | 0.76 | — | — | |
| SCHEMBL12196273 | 0.76 | — | — | |
| SCHEMBL27853070 | 0.74 | — | — | |
| SCHEMBL27923563 | 0.74 | — | — | |
| SCHEMBL4202345 | 0.73 | THRB (0.67) | — | |
| Methyl Alcohol SCHEMBL10679598 | 0.70 | THRB (0.62) | — | |
| Methyl Alcohol SCHEMBL15414478 | 0.70 | THRB (0.62) | — |
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-2960333-B1 | COMPOSITION FOR INHIBITING GENE EXPRESSION AND USES THEREOF | IDERA PHARMACEUTICALS INC (US) | 2017-10-04 | — | — | EP | disclosed |