⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9947452 | 0.82 | PIK3CD (0.52) | — | |
| SCHEMBL1829052 | 0.78 | — | — | |
| SCHEMBL9947459 | 0.78 | CHRM2 (0.48) | — | |
| SCHEMBL9947460 | 0.77 | KMT2A (0.49) | — | |
| SCHEMBL4401731 | 0.77 | — | — | |
| SCHEMBL9947443 | 0.76 | L3MBTL1 (0.47) | — | |
| SCHEMBL188184 | 0.75 | — | — | |
| SCHEMBL1491233 | 0.75 | — | — | |
| SCHEMBL9947456 | 0.74 | L3MBTL1 (0.50) | — | |
| SCHEMBL8536422 | 0.74 | L3MBTL1 (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021203028-A1 | 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |