⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16631350 | 0.86 | TK2 (0.33) | — | |
| SCHEMBL16631348 | 0.84 | GGPS1 (0.31) | — | |
| SCHEMBL16631473 | 0.79 | ADORA3 (0.35) | — | |
| SCHEMBL18080078 | 0.77 | P2RY2 (0.44) | — | |
| SCHEMBL16631373 | 0.77 | — | — | |
| SCHEMBL16631334 | 0.74 | EIF4E (0.30) | — | |
| SCHEMBL16631600 | 0.72 | P2RY2 (0.44) | — | |
| SCHEMBL16631534 | 0.70 | LGALS1 (0.35) | — | |
| SCHEMBL16631476 | 0.70 | TK2 (0.42) | — | |
| SCHEMBL18080062 | 0.69 | P2RY2 (0.44) | — |
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 |