⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31388523 | 0.83 | NT5E (0.36) | — | |
| SCHEMBL21055674 | 0.82 | MEN1 (0.36) | — | |
| SCHEMBL21345593 | 0.82 | MEN1 (0.36) | — | |
| SCHEMBL21333754 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL25329297 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL18512719 | 0.71 | LMNA (0.42) | — | |
| SCHEMBL6760520 | 0.70 | POLB (0.54) | — | |
| SCHEMBL10459827 | 0.70 | POLB (0.54) | — | |
| SCHEMBL6760519 | 0.70 | POLB (0.54) | — | |
| SCHEMBL21345149 | 0.70 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3762372-A1 | 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO | Emory University (US) | 2021-01-13 | — | — | EP | disclosed |
| WO-2019173602-A1 | 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO | EMORY UNIVERSITY (US) | 2019-09-12 | — | — | WO | disclosed |