⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19223165 | 0.80 | IMPDH2 (0.32) | — | |
| SCHEMBL21263298 | 0.79 | IMPDH2 (0.30) | — | |
| SCHEMBL21573858 | 0.77 | TDP1 (0.30) | — | |
| SCHEMBL18184052 | 0.77 | — | — | |
| SCHEMBL13302132 | 0.73 | — | — | |
| SCHEMBL14013078 | 0.64 | SIRT3 (0.33) | — | |
| SCHEMBL22814369 | 0.63 | IMPDH2 (0.32) | — | |
| SCHEMBL23283976 | 0.62 | TLR8 (0.42) | — | |
| SCHEMBL14623949 | 0.59 | — | — | |
| SCHEMBL10020526 | 0.59 | ALDH1A1 (0.31) | — |
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-3526198-B1 | 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-12 | — | — | EP | disclosed |
| WO-2017218617-A1 | 4-HYDROXY-3-SULFONYLPYRIDIN-2(1H)-ONES AS APJ RECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-12-21 | — | — | WO | disclosed |