⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26450525 | 1.00 | — | — | |
| SCHEMBL13033876 | 0.82 | — | — | |
| SCHEMBL23748017 | 0.80 | DPP4 (0.33) | — | |
| SCHEMBL11166628 | 0.79 | LTA4H (0.39) | — | |
| SCHEMBL11281309 | 0.79 | LTA4H (0.39) | — | |
| SCHEMBL14372546 | 0.78 | CHRM2 (0.33) | — | |
| SCHEMBL14372547 | 0.78 | CHRM2 (0.33) | — | |
| SCHEMBL18785490 | 0.77 | DPP4 (0.31) | — | |
| SCHEMBL25896156 | 0.77 | — | — | |
| SCHEMBL11486139 | 0.75 | SMN1; SMN2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159504-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 | 2023-05-25 | — | — | US | disclosed |