⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23052687 | 0.83 | — | — | |
| SCHEMBL23052610 | 0.81 | NT5E (0.36) | — | |
| SCHEMBL23042861 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL23042952 | 0.69 | GPR119 (0.33) | — | |
| SCHEMBL22899715 | 0.69 | NT5E (0.32) | — | |
| SCHEMBL29613885 | 0.69 | NT5E (0.32) | — | |
| SCHEMBL22899656 | 0.68 | NT5E (0.33) | — | |
| SCHEMBL22899496 | 0.67 | NT5E (0.33) | — | |
| SCHEMBL29613801 | 0.67 | NT5E (0.33) | — | |
| SCHEMBL29613863 | 0.67 | NT5E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021040356-A1 | C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION | KAINOS MEDICINE, INC. (KR) | 2021-03-04 | — | — | WO | disclosed |
| WO-2021040356-A1 | C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION | KAINOS MEDICINE, INC. (KR) | 2021-03-04 | — | — | WO | disclosed |