⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL28186311 | 0.91 | APLNR (0.35) | — | |
| SCHEMBL13799450 | 0.81 | — | — | |
| SCHEMBL10907446 | 0.78 | — | — | |
| SCHEMBL10885484 | 0.78 | — | — | |
| SCHEMBL28116577 | 0.75 | — | — | |
| SCHEMBL6628367 | 0.75 | APLNR (0.37) | — | |
| SCHEMBL28048449 | 0.73 | APLNR (0.40) | — | |
| SCHEMBL4443561 | 0.71 | APLNR (0.56) | — | |
| SCHEMBL1840371 | 0.71 | EPHX2 (0.40) | — | |
| SCHEMBL11008591 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116194144-A | Prodrugs of phosphoramide nucleotide analogs and pharmaceutical uses thereof | 吉利德科学公司 | 2023-05-30 | — | — | CN | disclosed |
| WO-2021074357-A1 | THIOPHENE DERIVATIVES FOR USE IN TREATING PORTAL INFLAMMATION AND FIBROSIS | ENYO PHARMA (FR) | 2021-04-22 | — | — | WO | disclosed |