⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1642430 | 1.00 | — | — | |
| SCHEMBL10005840 | 1.00 | — | — | |
| SCHEMBL12243052 | 0.92 | — | — | |
| SCHEMBL13998597 | 0.92 | — | — | |
| SCHEMBL12173555 | 0.92 | — | — | |
| SCHEMBL19768566 | 0.91 | IGF2R (0.35) | — | |
| SCHEMBL10005842 | 0.90 | — | — | |
| SCHEMBL1644129 | 0.90 | — | — | |
| SCHEMBL19608817 | 0.90 | — | — | |
| SCHEMBL13706079 | 0.89 | TLR4 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170327524-A1 | GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE | HOFFMANN-LA ROCHE INC. | 2017-11-16 | — | — | US | disclosed |
| US-20110118339-A1 | CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF | ALNYLAM PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | US | disclosed |