⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18080454 | 0.87 | TRPV1 (0.30) | — | |
| SCHEMBL18080450 | 0.85 | LMNA (0.30) | — | |
| SCHEMBL16631363 | 0.83 | — | — | |
| SCHEMBL18080488 | 0.82 | — | — | |
| SCHEMBL18080453 | 0.82 | TRPV1 (0.32) | — | |
| SCHEMBL18080472 | 0.78 | TRPV1 (0.32) | — | |
| SCHEMBL18080460 | 0.77 | TRPV1 (0.32) | — | |
| SCHEMBL18080469 | 0.77 | TRPV1 (0.32) | — | |
| SCHEMBL18080463 | 0.76 | EIF4A3 (0.33) | — | |
| SCHEMBL18080448 | 0.76 | TRPV1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160264614-A1 | POLYNUCLEOTIDE MOLECULES AND USES THEREOF | MODERNA THERAPEUTICS, INC. (US) | 2016-09-15 | — | — | US | disclosed |