⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23199536 | 0.81 | PGK1 (0.30) | — | |
| SCHEMBL21901147 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL21901152 | 0.70 | GAA (0.35) | — | |
| SCHEMBL22768050 | 0.69 | PTPN11 (0.33) | — | |
| SCHEMBL21317778 | 0.69 | CYP3A4 (0.41) | — | |
| SCHEMBL14549154 | 0.65 | KDM1A (0.32) | — | |
| SCHEMBL24233251 | 0.65 | — | — | |
| SCHEMBL20437528 | 0.65 | CYP3A4 (0.36) | — | |
| SCHEMBL20418690 | 0.63 | KDM1A (0.33) | — | |
| SCHEMBL19535201 | 0.62 | CYP3A4 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022026372-A2 | PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-02-03 | — | — | WO | disclosed |
| WO-2020081257-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-04-23 | — | — | WO | disclosed |