⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16631859 | 0.83 | GLA (0.33) | — | |
| SCHEMBL16631433 | 0.79 | PNP (0.36) | — | |
| SCHEMBL18080068 | 0.76 | P2RY2 (0.46) | — | |
| SCHEMBL16631346 | 0.67 | — | — | |
| SCHEMBL16631350 | 0.67 | TK2 (0.33) | — | |
| SCHEMBL16631260 | 0.65 | LGALS3 (0.38) | — | |
| SCHEMBL18080109 | 0.65 | P2RY2 (0.44) | — | |
| SCHEMBL18852580 | 0.64 | PNP (0.34) | — | |
| SCHEMBL16631276 | 0.64 | SLC5A2 (0.35) | — | |
| SCHEMBL16631410 | 0.64 | SLC5A2 (0.36) | — |
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-2015051173-A2 | POLYNUCLEOTIDE MOLECULES AND USES THEREOF | MODERNA THERAPEUTICS, INC (US) | 2015-04-09 | — | — | WO | disclosed |