⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21786920 | 0.91 | P2RY2 (0.30) | — | |
| SCHEMBL21786810 | 0.91 | — | — | |
| SCHEMBL24913345 | 0.89 | — | — | |
| SCHEMBL21786802 | 0.88 | POLB (0.33) | — | |
| SCHEMBL21787175 | 0.87 | — | — | |
| SCHEMBL21786836 | 0.86 | — | — | |
| SCHEMBL21786856 | 0.84 | POLB (0.35) | — | |
| SCHEMBL24730070 | 0.83 | P2RY2 (0.32) | — | |
| SCHEMBL21786886 | 0.82 | — | — | |
| SCHEMBL21786883 | 0.82 | — | — |
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-2017205336-A1 | NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2017-11-30 | — | — | WO | disclosed |