⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18079911 | 0.89 | CDA (0.32) | — | |
| SCHEMBL16631309 | 0.84 | SYNJ2 (0.37) | — | |
| SCHEMBL16631831 | 0.80 | — | — | |
| SCHEMBL16631220 | 0.80 | TNF (0.32) | — | |
| SCHEMBL16631830 | 0.78 | — | — | |
| SCHEMBL16631840 | 0.76 | CDA (0.32) | — | |
| SCHEMBL18079971 | 0.72 | P2RY2 (0.39) | — | |
| SCHEMBL16631160 | 0.72 | CDA (0.35) | — | |
| SCHEMBL16631161 | 0.72 | CDA (0.35) | — | |
| SCHEMBL18079909 | 0.71 | SYNJ2 (0.38) | — |
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 |