⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL97778 | 0.85 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL27910078 | 0.78 | — | — | |
| Water SCHEMBL27603543 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL9644773 | 0.78 | — | — | |
| Cyanate SCHEMBL28167745 | 0.77 | CA1 (0.38) | — | |
| SCHEMBL113363 | 0.74 | — | — | |
| SCHEMBL19257635 | 0.74 | — | — | |
| SCHEMBL11170147 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL6548307 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL14775080 | 0.72 | TSHR (0.39) | — |
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-3194411-B1 | NUCLEOTIDE ANALOGS | UNIV CALIFORNIA (US) | 2022-05-04 | — | — | EP | disclosed |
| WO-2017048956-A1 | NUCLEOTIDE ANALOGS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-23 | — | — | WO | disclosed |