⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24913318 | 0.94 | — | — | |
| SCHEMBL24913466 | 0.91 | — | — | |
| SCHEMBL21787011 | 0.91 | — | — | |
| SCHEMBL24913572 | 0.90 | — | — | |
| SCHEMBL23734349 | 0.88 | — | — | |
| SCHEMBL21787207 | 0.86 | P2RY2 (0.31) | — | |
| SCHEMBL19662410 | 0.83 | POLB (0.49) | — | |
| SCHEMBL24913468 | 0.83 | POLB (0.49) | — | |
| SCHEMBL24913325 | 0.83 | POLB (0.49) | — | |
| SCHEMBL21787150 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230028321-A1 | NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2023-01-26 | — | — | US | disclosed |
| US-20200069717-A1 | NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-03-05 | — | — | US | disclosed |